3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
Basic information
- CAS
112709-61-2- Standard SMILES
OC1CC2CCCCC2CC1N1CCC(c2ccccc2)CC1- InChIKey
KBAUXYUOKBLCFC-UHFFFAOYSA-N- Molecular formula
- C21H31NO
- Average molar mass
- 313.5 g/mol
- Monoisotopic mass
- 313.24056461
Names & identifiers
- Preferred name
- 3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
- IUPAC
- 3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
Names & synonyms
CHEMBL20721112709-61-23-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-olSCHEMBL11007777DTXSID40388955BDBM500181003-(4-Phenylpiperidin-1-yl)decahydronaphthalen-2-ol(+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-cis-decalin(+/-)-trans-2-hydroxy-3-(4-phenylpiperidino)-trans-decalin
Database identifiers
- CAS
112709-61-2- PubChem CID
- 3078239
- DTXSID
DTXSID40388955- ChEMBL
CHEMBL20721
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…