3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol

C20H25NO2 — CID 15048617

IUPAC3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
SMILESOc1cccc(CC(O)CN2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25NO2/c22-19-8-4-5-16(13-19)14-20(23)15-21-11-9-18(10-12-21)17-6-2-1-3-7-17/h1-8,13,18,20,22-23H,9-12,14-15H2
InChIKeyGJYBBFYCFSQQJJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.18
Rot. Bonds5

About 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol

3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol (PubChem CID 15048617) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
PubChem CID15048617
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
SMILESOc1cccc(CC(O)CN2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C20H25NO2/c22-19-8-4-5-16(13-19)14-20(23)15-21-11-9-18(10-12-21)17-6-2-1-3-7-17/h1-8,13,18,20,22-23H,9-12,14-15H2
InChIKeyGJYBBFYCFSQQJJ-UHFFFAOYSA-N
XLogP3.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
CID 177277698
3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
CID 118239135
1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 175643135
(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
4-[2-(4-phenylpiperidin-1-yl)ethyl]phenol
CID 14819324
(1R)-1-(4-bromophenyl)-2-(4-phenylpiperidin-1-yl)ethanol
CID 15048614
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 143402498

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
The IUPAC name of 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol (CID 15048617) is 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol.
What is the SMILES notation for 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
The canonical SMILES for 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol is Oc1cccc(CC(O)CN2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
The InChIKey is GJYBBFYCFSQQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-19-8-4-5-16(13-19)14-20(23)15-21-11-9-18(10-12-21)17-6-2-1-3-7-17/h1-8,13,18,20,22-23H,9-12,14-15H2.
What are the key properties of 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol?
3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol has a molecular weight of 311.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol is sourced from PubChem (CID 15048617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).