2-Benzyl-4-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile
Basic information
- CAS
64647-38-7- Standard SMILES
CC1CCCC(C)N1CCC(C#N)(Cc1ccccc1)c1cccs1- InChIKey
RYKRAGPQCVHBPW-UHFFFAOYSA-N- Molecular formula
- C22H28N2S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.19732008
Names & identifiers
- Preferred name
- 2-Benzyl-4-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-yl)butanenitrile
- IUPAC
- 2-benzyl-4-(2,6-dimethylpiperidin-1-yl)-2-thiophen-2-ylbutanenitrile
- English name
- 2,6-Dimethyl-α-(phenylmethyl)-α-(2-thienyl)-1-piperidinebutyronitrile
- Molecular formula
- C22H28N2S
- Molecular weight
- 352.54
Names & synonyms
64647-38-7DTXSID609832642-BENZYL-4-(2,6-DIMETHYLPIPERIDIN-1-YL)-2-(THIOPHEN-2-YL)BUTANENITRILERefChem:1062397DTXCID6014105072,6-Dimethyl-alpha-(phenylmethyl)-alpha-2-thienyl-1-piperidinebutanenitrile1-Piperidinebutyronitrile, 2,6-dimethyl-alpha-(phenylmethyl)-alpha-2-thienyl-1-Piperidinebutanenitrile, 2,6-dimethyl-α-(phenylmethyl)-α-2-thienyl-2,6-Dimethyl-α-(phenylmethyl)-α-(2-thienyl)-1-piperidinebutyronitrile
Database identifiers
- CAS
64647-38-7- PubChem CID
- 3049321
- DTXSID
DTXSID60983264- Nikkaji
- J62.723B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
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Compound notes
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