1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone

C13H16ClNO2 — CID 140512858

IUPAC1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C13H16ClNO2/c1-9(16)15-6-4-10(5-7-15)12-3-2-11(14)8-13(12)17/h2-3,8,10,17H,4-7H2,1H3
InChIKeyLMIBMJSTNIBBEQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.77
Rot. Bonds1

About 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone

1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone (PubChem CID 140512858) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
PubChem CID140512858
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(Cl)cc2O)CC1
InChIInChI=1S/C13H16ClNO2/c1-9(16)15-6-4-10(5-7-15)12-3-2-11(14)8-13(12)17/h2-3,8,10,17H,4-7H2,1H3
InChIKeyLMIBMJSTNIBBEQ-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
2-(1-acetylpiperidin-4-yl)-4-chlorobenzaldehyde
CID 88817221
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
CID 126758698
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
CID 23048180
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146150629

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone (CID 140512858) is 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccc(Cl)cc2O)CC1.
What is the InChIKey of 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is LMIBMJSTNIBBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9(16)15-6-4-10(5-7-15)12-3-2-11(14)8-13(12)17/h2-3,8,10,17H,4-7H2,1H3.
What are the key properties of 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone?
1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 253.73 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-hydroxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 140512858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).