Basic information
- CAS
4897-50-1- Standard SMILES
C1CCN(C2CCNCC2)CC1- InChIKey
QDVBKXJMLILLLB-UHFFFAOYSA-N- Molecular formula
- C10H20N2
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.16264864
Overview
1,4'-bipiperidine is a bipiperidine.
Names & identifiers
- Preferred name
- 1,4'-Bipiperidine
- IUPAC
- 1-piperidin-4-ylpiperidine
- English name
- 4-Piperidinopiperidine
- Molecular formula
- C10H20N2
- Molecular weight
- 168.28
Names & synonyms
1,4'-Bipiperidine4897-50-14-PIPERIDINO-PIPERIDINE1,4'-Bipiperidyl4-(1-piperidinyl)piperidine4-piperidin-1-ylpiperidine1-(4-PIPERIDYL)PIPERIDINEWBP6BM27HPEINECS 225-522-8CHEBI:40117DTXSID20197648RefChem:415749
Show more names
AKOS BB-91804-Piperidinopiperid3-Boc-aminopiperidin1,4'-Bipiperidine 98%1,4'-Bipiperidine,99%4-Piperidinopiperdine
DTXCID80120139225-522-8InChI=1/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H4-Piperidinopiperidine[1,4']BIPIPERIDINYL1-piperidin-4-ylpiperidineMFCD000064754-(piperidin-1-yl)piperidine
Database identifiers
- CAS
4897-50-1- PubChem CID
- 78607
- DTXSID
DTXSID20197648- ChEMBL
CHEMBL174391- ChEBI
CHEBI:40117- UNII
- WBP6BM27HP
- EC Number
- 225-522-8
- Nikkaji
- J236.135C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 64 · 64-66 °C (lit.)
- Boiling point
- 287.25 °C · 287.25°C (rough estimate)
- Density
- 0.9725 · 0.9725 (rough estimate)
- refractive index
- 1.6011 · 1.6011 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Crystalline Solid
- pka
- 10.31 · 10.31±0.10(Predicted)
- color
- Light yellow to yellow-brown
- InChI
- InChI=1S/C10H20N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h10-11H,1-9H2
- InChIKey
- QDVBKXJMLILLLB-UHFFFAOYSA-N
- SMILES
- N1(C2CCNCC2)CCCCC1
- CAS DataBase Reference
- 4897 · 4897-50-1(CAS DataBase Reference)
- FDA UNII
- 6 BM27HP · WBP6BM27HP
- 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
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (11.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 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 Corr. 1B (11.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- 8
- 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
Applications
UsesReactant for synthesis of: Arylthiadiazole H3 antagonists1 Water-soluble N-mustards as anticancer agents2 Antitubercular drugs3 Vasopressin1b receptor antagonists4 MDR modulators5 Selective Norepinephrine transporter inhibitors6
UsesReactant for synthesis of: Arylthiadiazole H3 antagonists Water-soluble N-mustards as anticancer agents Antitubercular drugs Vasopressin1b receptor antagonists MDR modulators Selective Norepinephrine transporter inhibitors
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: 1,4'-bipiperidine is a bipiperidine.
Related reactions
332 records
Compound notes
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