4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol

C21H25Cl2NO2 — CID 66572397

IUPAC4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol
SMILESOC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c22-18-7-6-17(14-19(18)23)20(25)8-11-24-12-9-21(26,10-13-24)15-16-4-2-1-3-5-16/h1-7,14,20,25-26H,8-13,15H2
InChIKeyJZHYJRPFUZJBQH-UHFFFAOYSA-N
MW394.34 g/mol
LogP4.49
Rot. Bonds6

About 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol

4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol (PubChem CID 66572397) has the molecular formula C21H25Cl2NO2 and a molecular weight of 394.34 g/mol. Its IUPAC name is 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol.

Molecular Properties

Compound Name4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol
PubChem CID66572397
Molecular FormulaC21H25Cl2NO2
Molecular Weight394.34 g/mol
Exact Mass393.13
IUPAC Name4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol
SMILESOC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H25Cl2NO2/c22-18-7-6-17(14-19(18)23)20(25)8-11-24-12-9-21(26,10-13-24)15-16-4-2-1-3-5-16/h1-7,14,20,25-26H,8-13,15H2
InChIKeyJZHYJRPFUZJBQH-UHFFFAOYSA-N
XLogP4.49
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol 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

Eliprodil
CID 60703
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
(+)-(S)-Eliprodil
CID 14622158
Dihydrohaloperidol, (S)-
CID 16048564
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
(+/-)-threo-N-Benzyl-3'',4''-dichlororitalinol
CID 52945159
Eliprodil, (R)-
CID 9798372
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
2-(4-Chloro-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
CID 10573219
(+/-)-(3,4-Dichlorophenyl)(2-((dimethylamino)methyl)phenyl)methanol
CID 15115364
4-[(4-Chlorophenyl)methyl]-1-[2-hydroxy-3-(4-hydroxyphenyl)propyl]piperidin-4-ol
CID 44309200
4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CID 44395410

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The IUPAC name of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol (CID 66572397) is 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol.
What is the SMILES notation for 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The canonical SMILES for 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol is OC(CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
The InChIKey is JZHYJRPFUZJBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO2/c22-18-7-6-17(14-19(18)23)20(25)8-11-24-12-9-21(26,10-13-24)15-16-4-2-1-3-5-16/h1-7,14,20,25-26H,8-13,15H2.
What are the key properties of 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol?
4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol has a molecular weight of 394.34 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]piperidin-4-ol is sourced from PubChem (CID 66572397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).