Indole, 3-(1-phenethyl-2-piperidylmethyl)-
Basic information
- CAS
101832-12-6- Standard SMILES
c1ccc(CCN2CCCCC2Cc2c[nH]c3ccccc23)cc1- InChIKey
GXDYKMUTMGOMMZ-UHFFFAOYSA-N- Molecular formula
- C22H26N2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.20959884
Names & identifiers
- Preferred name
- Indole, 3-(1-phenethyl-2-piperidylmethyl)-
- IUPAC
- 3-[[1-(2-phenylethyl)piperidin-2-yl]methyl]-1H-indole
Names & synonyms
INDOLE, 3-(1-PHENETHYL-2-PIPERIDYLMETHYL)-3-(N-Phenylethyl-2-piperidinomethyl) indole101832-12-6RefChem:3492013-{[1-(2-phenylethyl)piperidin-2-yl]methyl}-1h-indoleDTXSID20906676
Database identifiers
- CAS
101832-12-6- PubChem CID
- 58973
- DTXSID
DTXSID20906676
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 376
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Compound notes
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