3-Methyl-2-(naphthalen-1-ylmethyl)-2-(2-piperidin-1-ylethyl)pentanenitrile

HCID 298976

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Basic information

CAS: 27602-16-0
Standard SMILES: CCC(C)C(C#N)(CCN1CCCCC1)Cc1cccc2ccccc12
InChIKey: XKWYVABXLGISMY-UHFFFAOYSA-N
Molecular formula: C24H32N2
Average molar mass: 348.5 g/mol
Monoisotopic mass: 348.25654903

Names & identifiers

Preferred name: 3-Methyl-2-(naphthalen-1-ylmethyl)-2-(2-piperidin-1-ylethyl)pentanenitrile
IUPAC: 3-methyl-2-(naphthalen-1-ylmethyl)-2-(2-piperidin-1-ylethyl)pentanenitrile

Names & synonyms

27602-16-0NSC1713683-methyl-2-(naphthalen-1-ylmethyl)-2-(2-piperidin-1-ylethyl)pentanenitrileDTXSID30305656NSC-1713683-Methyl-2-[(naphthalen-1-yl)methyl]-2-[2-(piperidin-1-yl)ethyl]pentanenitrile

Database identifiers

CAS: 27602-16-0
PubChem CID: 298976
DTXSID: DTXSID30305656

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 27 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 472

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