Basic information
- CAS
963-08-6- Standard SMILES
CCCCNC1(C#N)CCN(Cc2ccccc2)CC1- InChIKey
UUBVCUBWRBXOGL-UHFFFAOYSA-N- Molecular formula
- C17H25N3
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 271.20484781
Names & identifiers
- Preferred name
- 1-Benzyl-4-(butylamino)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(butylamino)piperidine-4-carbonitrile
- English name
- 1-benzyl-4-(butylamino)piperidine-4-carbonitrile
- Molecular formula
- C17H25N3
- Molecular weight
- 271.4005
Names & synonyms
1-Benzyl-4-(butylamino)piperidine-4-carbonitrile963-08-6MLS002693814NSC73003EINECS 213-513-1Piperidine-4-carbonitrile, 1-benzyl-4-(butylamino)-CHEMBL1721211DTXSID30242193UUBVCUBWRBXOGL-UHFFFAOYSA-NHMS3085G06NSC 73003NSC-73003
Show more names
1-Benzyl-4-(butylamino)-4-piperidinecarbonitrile
SMR001559755DS-015386NS000404774-Piperidinecarbonitrile,4-(butylamino)-1-(phenylmethyl)-
Database identifiers
- CAS
963-08-6- PubChem CID
- 70404
- DTXSID
DTXSID30242193- ChEMBL
CHEMBL1721211- EC Number
- 213-513-1
- Nikkaji
- J298.568C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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