(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C14H18ClNO2 — CID 115532894

IUPAC(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H18ClNO2/c1-10-3-4-11(15)9-12(10)13(17)16-7-5-14(2,18)6-8-16/h3-4,9,18H,5-8H2,1-2H3
InChIKeyKLWIQIKNRWZUOD-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.64
Rot. Bonds1

About (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 115532894) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID115532894
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H18ClNO2/c1-10-3-4-11(15)9-12(10)13(17)16-7-5-14(2,18)6-8-16/h3-4,9,18H,5-8H2,1-2H3
InChIKeyKLWIQIKNRWZUOD-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103766520
(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404871
(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107408933
(4-hydroxy-4-methylazepan-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone
CID 107406546
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(5-chloro-2-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 82884011
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 115532894) is (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is Cc1ccc(Cl)cc1C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is KLWIQIKNRWZUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-3-4-11(15)9-12(10)13(17)16-7-5-14(2,18)6-8-16/h3-4,9,18H,5-8H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115532894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).