Basic information
- Standard SMILES
OC1(c2ccc(Cl)cc2)CCNCC1- InChIKey
LZAYOZUFUAMFLD-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.07639175
Overview
4-(4-chlorophenyl)-4-hydroxypiperidine is a member of piperidines.
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-4-hydroxypiperidine
- IUPAC
- 4-(4-chlorophenyl)piperidin-4-ol
- English name
- 4-(4-Chlorophenyl)piperidin-4-ol
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
39512-49-74-(4-Chlorophenyl)-4-hydroxypiperidine4-(4-CHLOROPHENYL)-4-PIPERIDINOLUND92FKS0WDTXSID70577334-(4'-Chlorophenyl)-4-piperidinolNSC-89568DTXCID8031522RefChem:513427254-479-84-(4-chlorophenyl)piperidin-4-olLoperamide EP Impurity C
Show more names
Loperamide Impurity CNSC 89568Compound Fr13199NMDAR antagonist 3TIMTEC-BB SBB003427LABOTEST-BB LT00233227HALOPERIDOL METABOLITE I4-(4-Chlorophenyl)-4-hydroxy
4-Piperidinol, 4-(4-chlorophenyl)-MFCD000060014-(p-Chlorophenyl)-4-hydroxypiperidine4-(p-Chlorophenyl)piperidin-4-ol4-(Chlorophenyl)-4-hydroxylpiperidineEINECS 254-479-84-Hydroxy-4-(p-chlorophenyl)piperidine4-Hydroxy-4-(4-chlorophenyl)piperidine
Database identifiers
- CAS
39512-49-7- PubChem CID
- 38282
- DTXSID
DTXSID7057733- ChEMBL
CHEMBL3298755- ChEBI
CHEBI:169225- UNII
- UND92FKS0W
- EC Number
- 254-479-8
- Nikkaji
- J31.368H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
LogP1.98
Physical DescriptionOff-white powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 137 · 137-140 °C (lit.)
- Boiling point
- 344.5 · 344.5±42.0 °C(Predicted)
- Density
- 1.1138 · 1.1138 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 340 mg/l · 340mg/l
- form
- Crystalline Powder
- pka
- 13.92 · 13.92±0.20(Predicted)
- color
- White to creamy-white
- PH
- 10 · 10 (H2O, 20℃)(saturated solution)
- Water Solubility
- 340 mg/L · 340 mg/L (20 ºC)
- BRN
- 165923 · 165923
- InChI
- 1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
- InChIKey
- LZAYOZUFUAMFLD-UHFFFAOYSA-N
- SMILES
- OC1(CCNCC1)c2ccc(Cl)cc2
- CAS DataBase Reference
- 39512 · 39512-49-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 92 FKS0W · UND92FKS0W
- NIST Chemistry Reference
- 4 · 4-(Para-chlorophenyl)-4-hydroxypiperidine(39512-49-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H412
- Precautionary statements
- 261 · P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333999 · 29333999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2Skin Sens. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (28.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 27-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20416
4-(4-Chlorophenyl)-4-hydroxypiperidine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses analgesia in acute subcutaneous studies of mice; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (28.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333999
- risk_code
- 36/37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H317-H318-H412
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesCPHP is a known human metabolite of reduced_haloperidol.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Uses & manufacturing
UsesN-dealkylated model of haloperidol. [ChemIDplus]
Applications
Uses4-(4-Chlorophenyl)-4-hydroxypiperidine can be used as potential fluorescent sigma receptor probes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: 4-(4-chlorophenyl)-4-hydroxypiperidine is a member of piperidines.
Related reactions
219 records
Linked notes
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