Basic information
- Standard SMILES
OCCC1CCNCC1- InChIKey
LDSQQXKSEFZAPE-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- 4-Piperidineethanol
- IUPAC
- 2-piperidin-4-ylethanol
- English name
- 4-Piperidineethanol
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
4-Piperidineethanol622-26-44-(2-Hydroxyethyl)piperidineEINECS 210-727-7NSC 93818DTXSID8060749RefChem:100399DTXCID50432612-(Piperidin-4-yl)ethanol2-(piperidin-4-yl)ethan-1-ol2-piperidin-4-ylethanol4-Piperidine ethanol
Show more names
4-PiperineethanolPIPERIDIN-4-YLETHANOLPIPERIDINEETHANOL(4-)Tirofiban Impurity 58
MFCD000060082-(4-piperidyl)ethanol4-hydroxyethyl-piperidine4-EthanolpiperidineVRR3T9QR542-(piperidin-4-yl)-1-ethanolNSC-93818piperidine-4-ethanol
Database identifiers
- CAS
622-26-4- PubChem CID
- 73953
- DTXSID
DTXSID8060749- ChEMBL
CHEMBL1651433- UNII
- VRR3T9QR54
- EC Number
- 210-727-7
- Nikkaji
- J208.903C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.3
Physicochemical properties
- Melting point
- 46 · 46-47 °C (lit.)
- Boiling point
- 131 · 131-136 °C/17 mmHg (lit.)
- Density
- 1.0059 · 1.0059
- refractive index
- 20 · n20/D 1.4902(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 15.1 · 15.10±0.10(Predicted)
- color
- Brown
- InChI
- InChI=1S/C7H15NO/c9-6-3-7-1-4-8-5-2-7/h7-9H,1-6H2
- InChIKey
- LDSQQXKSEFZAPE-UHFFFAOYSA-N
- SMILES
- N1CCC(CCO)CC1
- CAS DataBase Reference
- 622 · 622-26-4(CAS DataBase Reference)
- FDA UNII
- 3 T9QR54 · VRR3T9QR54
- NIST Chemistry Reference
- 4 · 4-Ethanolpiperidine(622-26-4)
- EPA Substance Registry System
- 4 · 4-Piperidineethanol (622-26-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-24/25
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (90.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 62 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (90.3%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Piperidineethanol: INACTIVE
Applications
UsesReactant for synthesis of:• ;Ursolic acid derivatives1• ;Amodiaquine analogues for treatment of cerebral malaria2• ;Spiroimidazolidinone NPC1L1 inhibitors3• ;Piperazinyl glutamate pyridines as orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation4• ;Neurokinin-2 receptor antagonists5• ;Hepatitis C virus NS5B polymerase inhibitors6
Uses4-Piperidineethanol have been used as a intermediate in the synthetic preparation of cellular-active allosteric inhibitors of FAK
Uses4-Piperidineethanol have been used as an intermediate in the synthetic preparation of cellular-active allosteric inhibitors of FAK
Upstream & downstream products
Upstream raw materials
Downstream products
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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