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

C14H18ClNO2 — CID 62025148

IUPAC1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c15-13-5-1-4-12(7-13)14(18)9-16-6-2-3-11(8-16)10-17/h1,4-5,7,11,17H,2-3,6,8-10H2
InChIKeyQPKAYUUDYZBJCQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.23
Rot. Bonds4

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

1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 62025148) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID62025148
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(CO)C1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c15-13-5-1-4-12(7-13)14(18)9-16-6-2-3-11(8-16)10-17/h1,4-5,7,11,17H,2-3,6,8-10H2
InChIKeyQPKAYUUDYZBJCQ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
1-(2,4-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025324
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
1-(furan-2-yl)-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94201565
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone (CID 62025148) is 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CN1CCCC(CO)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is QPKAYUUDYZBJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13-5-1-4-12(7-13)14(18)9-16-6-2-3-11(8-16)10-17/h1,4-5,7,11,17H,2-3,6,8-10H2.
What are the key properties of 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone?
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 62025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).