1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol

C14H20ClNO — CID 558630

IUPAC1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol
SMILESCCC(O)(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-2-14(17,12-7-9-16-10-8-12)11-3-5-13(15)6-4-11/h3-6,12,16-17H,2,7-10H2,1H3
InChIKeyXIKBAFZJPVNAHG-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol

1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol (PubChem CID 558630) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol
PubChem CID558630
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol
SMILESCCC(O)(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C14H20ClNO/c1-2-14(17,12-7-9-16-10-8-12)11-3-5-13(15)6-4-11/h3-6,12,16-17H,2,7-10H2,1H3
InChIKeyXIKBAFZJPVNAHG-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-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

(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
tert-butyl 4-[1-(4-chlorophenyl)-1-hydroxypropyl]piperidine-1-carboxylate
CID 70946864
1-cyclopropyl-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 64918280
N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
1-chloro-4-(2-methylbutan-2-yl)benzene;ethane;4-(3-methoxypropyl)piperidine;2-methylbut-2-ene
CID 165134917
1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
CID 19816182
cis-(1R,2S)-2-(tert-butylamino)-4-[(1R)-1-[4-(4-chlorophenyl)phenyl]-1-hydroxypropyl]cyclopentan-1-ol
CID 54258143
(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 125492642
1-cyclopropyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128071
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
2-(4-chlorophenyl)pentan-2-ol
CID 23555553

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol (CID 558630) is 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol is CCC(O)(c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol?
The InChIKey is XIKBAFZJPVNAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-14(17,12-7-9-16-10-8-12)11-3-5-13(15)6-4-11/h3-6,12,16-17H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol?
1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-piperidin-4-ylpropan-1-ol is sourced from PubChem (CID 558630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).