1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

C15H20ClNO2 — CID 62631068

IUPAC1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1CO)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c16-13-5-3-4-12(10-13)15(19)7-9-17-8-2-1-6-14(17)11-18/h3-5,10,14,18H,1-2,6-9,11H2
InChIKeyODFZIECXJDFISP-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one

1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 62631068) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
PubChem CID62631068
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCCC1CO)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c16-13-5-3-4-12(10-13)15(19)7-9-17-8-2-1-6-14(17)11-18/h3-5,10,14,18H,1-2,6-9,11H2
InChIKeyODFZIECXJDFISP-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638066
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
CID 116637464
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
1-(3-bromophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62613958
1-(3,5-dimethylphenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638047
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-chlorophenyl)propan-1-one
CID 63482998
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218
1-(3-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62612826
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one (CID 62631068) is 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCCC1CO)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is ODFZIECXJDFISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-5-3-4-12(10-13)15(19)7-9-17-8-2-1-6-14(17)11-18/h3-5,10,14,18H,1-2,6-9,11H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one?
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 2.76, 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-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62631068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).