4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-phenyl-
Basic information
- CAS
81226-62-2- Standard SMILES
OC1(c2ccccc2)CCN(Cc2c[nH]c3ccccc23)CC1- InChIKey
GJYKNFULPQZKCI-UHFFFAOYSA-N- Molecular formula
- C20H22N2O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.17321333
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-phenyl-
- IUPAC
- 1-(1H-indol-3-ylmethyl)-4-phenylpiperidin-4-ol
Names & synonyms
4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-phenyl-NSC71372581226-62-2CHEMBL1990660SCHEMBL11255288DTXSID50328009NSC-713725NCI60_0395651-[(1H-Indol-3-yl)methyl]-4-phenylpiperidin-4-ol
Database identifiers
- CAS
81226-62-2- PubChem CID
- 401020
- DTXSID
DTXSID50328009- ChEMBL
CHEMBL1990660
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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