1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone

C14H18ClNO2 — CID 62035218

IUPAC1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCCC1CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c15-12-6-4-11(5-7-12)14(18)9-16-8-2-1-3-13(16)10-17/h4-7,13,17H,1-3,8-10H2
InChIKeyKTMJLRAWZHBCTK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.37
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone

1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 62035218) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID62035218
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCCC1CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c15-12-6-4-11(5-7-12)14(18)9-16-8-2-1-3-13(16)10-17/h4-7,13,17H,1-3,8-10H2
InChIKeyKTMJLRAWZHBCTK-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
1-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62036321
1-(3,4-dihydroxyphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035024
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-propylphenyl)ethanone
CID 116635374
1-[4-(difluoromethoxy)phenyl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 6363229
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
1-(3-bromo-4-methoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635406
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 62035218) is 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCCCC1CO)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is KTMJLRAWZHBCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-6-4-11(5-7-12)14(18)9-16-8-2-1-3-13(16)10-17/h4-7,13,17H,1-3,8-10H2.
What are the key properties of 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62035218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).