1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone

C14H18ClNO2 — CID 114678928

IUPAC1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(O)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-9-8-16(6-5-14(9)18)13-4-3-11(10(2)17)7-12(13)15/h3-4,7,9,14,18H,5-6,8H2,1-2H3
InChIKeyGGMJPIDSBWVMTI-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.75
Rot. Bonds2

About 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone

1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone (PubChem CID 114678928) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
PubChem CID114678928
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(O)C(C)C2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-9-8-16(6-5-14(9)18)13-4-3-11(10(2)17)7-12(13)15/h3-4,7,9,14,18H,5-6,8H2,1-2H3
InChIKeyGGMJPIDSBWVMTI-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]ethanone
CID 106669916
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678801
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153
1-[3-chloro-4-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]ethanone
CID 106836224
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzonitrile
CID 114678499
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanone
CID 55130715
4-(3-tert-butylpyrrolidin-1-yl)-3-chlorobenzoic acid
CID 113417943
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 102965809
1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973
2-chloro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzaldehyde
CID 114679035
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
CID 63158222

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone (CID 114678928) is 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCC(O)C(C)C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is GGMJPIDSBWVMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-8-16(6-5-14(9)18)13-4-3-11(10(2)17)7-12(13)15/h3-4,7,9,14,18H,5-6,8H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone?
1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 114678928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).