Basic information
- CAS
3560-07-4- Standard SMILES
CCCNC1(C#N)CCN(Cc2ccccc2)CC1- InChIKey
UKAHSGVHHIAEEA-UHFFFAOYSA-N- Molecular formula
- C16H23N3
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.18919775
Names & identifiers
- Preferred name
- 1-Benzyl-4-(propylamino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(propylamino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(propylamino)piperidine-4-carbonitrile
- Molecular formula
- C16H23N3
- Molecular weight
- 257.37392
Names & synonyms
1-Benzyl-4-(propylamino)piperidine-4-carbonitrile3560-07-4FRX5NQ8D8ENSC-73001DTXSID90189070EINECS 222-621-8NSC 730011-(Phenylmethyl)-4-(propylamino)-4-piperidinecarbonitrile4-PIPERIDINECARBONITRILE, 1-(PHENYLMETHYL)-4-(PROPYLAMINO)-RefChem:74998DTXCID20111561222-621-8
Show more names
NSC73001UNII-FRX5NQ8D8EUKAHSGVHHIAEEA-UHFFFAOYSA-NNS00048444
Database identifiers
- CAS
3560-07-4- PubChem CID
- 77096
- DTXSID
DTXSID90189070- UNII
- FRX5NQ8D8E
- EC Number
- 222-621-8
- Nikkaji
- J216.200H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- FDA UNII
- 5 NQ8D8E · FRX5NQ8D8E
Chemistry & industry
Suppliers2 total
UKRORGSYN-BB[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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