4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride

C23H32ClNO2 — CID 44782432

IUPAC4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
SMILESCCCC(O)(c1ccc(O)cc1)C(CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-2-15-23(26,20-11-13-21(25)14-12-20)22(19-9-5-3-6-10-19)18-24-16-7-4-8-17-24;/h3,5-6,9-14,22,25-26H,2,4,7-8,15-18H2,1H3;1H
InChIKeyGVFKNAIAMAXFRG-UHFFFAOYSA-N
MW389.97 g/mol
LogP5.07
Rot. Bonds7

About 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride

4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride (PubChem CID 44782432) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
PubChem CID44782432
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride
SMILESCCCC(O)(c1ccc(O)cc1)C(CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-2-15-23(26,20-11-13-21(25)14-12-20)22(19-9-5-3-6-10-19)18-24-16-7-4-8-17-24;/h3,5-6,9-14,22,25-26H,2,4,7-8,15-18H2,1H3;1H
InChIKeyGVFKNAIAMAXFRG-UHFFFAOYSA-N
XLogP5.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.97
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride 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

4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol
CID 23607014
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
4-[(2R,3R)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701923
4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ylhex-5-en-3-yl]phenol
CID 92701926
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
(2R,3R)-3-(4-ethylphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 28949473
3-(4-methoxyphenyl)-6-methyl-2-phenyl-1-piperidin-1-ylheptan-3-ol;hydrochloride
CID 146052045
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2R,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-yldecan-3-ol
CID 98213589
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride?
The IUPAC name of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride (CID 44782432) is 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride?
The canonical SMILES for 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride is CCCC(O)(c1ccc(O)cc1)C(CN1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride?
The InChIKey is GVFKNAIAMAXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-2-15-23(26,20-11-13-21(25)14-12-20)22(19-9-5-3-6-10-19)18-24-16-7-4-8-17-24;/h3,5-6,9-14,22,25-26H,2,4,7-8,15-18H2,1H3;1H.
What are the key properties of 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride?
4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-phenyl-1-piperidin-1-ylhexan-3-yl)phenol;hydrochloride is sourced from PubChem (CID 44782432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).