2-((1-Benzyl-4-piperidyl)amino)butyronitrile
Basic information
- CAS
84196-14-5- Standard SMILES
CCC(C#N)NC1CCN(Cc2ccccc2)CC1- InChIKey
XARCFSHZUKBOAM-UHFFFAOYSA-N- Molecular formula
- C16H23N3
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.18919775
Names & identifiers
- Preferred name
- 2-((1-Benzyl-4-piperidyl)amino)butyronitrile
- IUPAC
- 2-[(1-benzylpiperidin-4-yl)amino]butanenitrile
- English name
- 2-[(1-benzyl-4-piperidyl)amino]butyronitrile
- Molecular formula
- C16H23N3
- Molecular weight
- 257.37392
Names & synonyms
84196-14-52-[(1-benzylpiperidin-4-yl)amino]butanenitrileEINECS 282-423-22-((1-Benzyl-4-piperidyl)amino)butyronitrileNSC737462-[[1-(Phenylmethyl)-4-piperidinyl]amino]butanenitrileXARCFSHZUKBOAM-UHFFFAOYSA-NDTXSID401211951SFA87803NSC 73746NSC-73746AKOS010964487
Show more names
2-[(1-benzyl-4-piperidyl)amino]butyronitrile
NS00059848
Database identifiers
- CAS
84196-14-5- PubChem CID
- 98067
- DTXSID
DTXSID401211951- EC Number
- 282-423-2
- Nikkaji
- J297.550E
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 292
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Compound notes
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