Basic information
- CAS
66839-99-4- Standard SMILES
Oc1ccc(-c2ccccc2)cc1CN1CCCCC1- InChIKey
PIMVNKNCUGLQQJ-UHFFFAOYSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.16231429
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-ol, 3-(1-piperidinylmethyl)-
- IUPAC
- 4-phenyl-2-(piperidin-1-ylmethyl)phenol
- English name
- 3-(1-Piperidinylmethyl)biphenyl-4-ol
- Molecular formula
- C18H21NO
- Molecular weight
- 267.37
Names & synonyms
BRN 01942283-Piperidinomethyl-4-hydroxybiphenyl(1,1'-BIPHENYL)-4-OL, 3-(1-PIPERIDINYLMETHYL)-66839-99-43-(1-Piperidinylmethyl)(1,1'-biphenyl)-4-olDTXSID402169614-20-00-00607 (Beilstein Handbook Reference)RefChem:204036DTXCID70139452TCMDC-125510Oprea1_368665GNF-Pf-3486
Show more names
3-(1-Piperidinylmethyl)biphenyl-4-ol[1,1'-Biphenyl]-4-ol, 3-(1-piperidinylmethyl)-
CHEMBL5326313-[(Piperidin-1-yl)methyl][1,1'-biphenyl]-4-ol
Database identifiers
- CAS
66839-99-4- PubChem CID
- 48128
- DTXSID
DTXSID40216961- ChEMBL
CHEMBL532631- Nikkaji
- J70.040A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 398.5 · 398.5±27.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- pka
- 9.91 · 9.91±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…