Basic information
- CAS
1027-94-7- Standard SMILES
CC(C)NC1(C#N)CCN(Cc2ccccc2)CC1- InChIKey
AFWVUHFFBULMAW-UHFFFAOYSA-N- Molecular formula
- C16H23N3
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.18919775
Names & identifiers
- Preferred name
- 1-Benzyl-4-(isopropylamino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(propan-2-ylamino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(isopropylamino)piperidine-4-carbonitrile
- Molecular formula
- C16H23N3
- Molecular weight
- 257.37
Names & synonyms
1-Benzyl-4-(isopropylamino)piperidine-4-carbonitrile1027-94-71-benzyl-4-(propan-2-ylamino)piperidine-4-carbonitrileMLS0026938111-benzyl-4-[(propan-2-yl)amino]piperidine-4-carbonitrileAFWVUHFFBULMAW-UHFFFAOYSA-NNSC73000EINECS 213-841-5CHEMBL2137498SCHEMBL15461526DTXSID20145462HMS3085N09
Show more names
4-[(1-Methylethyl)amino]-1-phenylmethyl-4-piperidinecarbonitrile4-Piperidinecarbonitrile, 4-[(1-methylethyl)amino]-1-(phenylmethyl)-
NSC 73000NSC-73000AKOS009321859SMR001559752NS00023180H11215
Database identifiers
- CAS
1027-94-7- PubChem CID
- 70568
- DTXSID
DTXSID20145462- ChEMBL
CHEMBL2137498- EC Number
- 213-841-5
- Nikkaji
- J217.152J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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