1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one

C15H20ClNO2 — CID 62630181

IUPAC1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c16-14-5-1-4-13(9-14)15(19)6-8-17-7-2-3-12(10-17)11-18/h1,4-5,9,12,18H,2-3,6-8,10-11H2
InChIKeyGGGBHUYYXSYJCX-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.62
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one

1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 62630181) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID62630181
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c16-14-5-1-4-13(9-14)15(19)6-8-17-7-2-3-12(10-17)11-18/h1,4-5,9,12,18H,2-3,6-8,10-11H2
InChIKeyGGGBHUYYXSYJCX-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one 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-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-chlorophenyl)propan-1-one
CID 63482998
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228830
1-(3-chlorophenyl)-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 113418799
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
CID 62628820
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 62630181) is 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCC(CO)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GGGBHUYYXSYJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14-5-1-4-13(9-14)15(19)6-8-17-7-2-3-12(10-17)11-18/h1,4-5,9,12,18H,2-3,6-8,10-11H2.
What are the key properties of 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one?
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62630181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).