(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone

C13H16ClNO2 — CID 18105294

IUPAC(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C13H16ClNO2/c1-9-3-2-6-15(8-9)13(17)10-4-5-12(16)11(14)7-10/h4-5,7,9,16H,2-3,6,8H2,1H3
InChIKeyFNSDMEVRAJULKS-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.92
Rot. Bonds1

About (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone

(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 18105294) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID18105294
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1
InChIInChI=1S/C13H16ClNO2/c1-9-3-2-6-15(8-9)13(17)10-4-5-12(16)11(14)7-10/h4-5,7,9,16H,2-3,6,8H2,1H3
InChIKeyFNSDMEVRAJULKS-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-chloro-4-hydroxyphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371633
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
[4-(3-aminoprop-1-ynyl)-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone
CID 81295346
1-(3-chloro-4-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63006768
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(3-chloro-4-hydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216506
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500729
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone (CID 18105294) is (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FNSDMEVRAJULKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-3-2-6-15(8-9)13(17)10-4-5-12(16)11(14)7-10/h4-5,7,9,16H,2-3,6,8H2,1H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone?
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 18105294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).