(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C15H20ClNO2 — CID 110028121

IUPAC(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(Cl)c(C(=O)N2CCC(CO)CC2)cc1C
InChIInChI=1S/C15H20ClNO2/c1-10-7-13(14(16)8-11(10)2)15(19)17-5-3-12(9-18)4-6-17/h7-8,12,18H,3-6,9H2,1-2H3
InChIKeyFOANCGSIGMAHNN-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.80
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110028121) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110028121
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(Cl)c(C(=O)N2CCC(CO)CC2)cc1C
InChIInChI=1S/C15H20ClNO2/c1-10-7-13(14(16)8-11(10)2)15(19)17-5-3-12(9-18)4-6-17/h7-8,12,18H,3-6,9H2,1-2H3
InChIKeyFOANCGSIGMAHNN-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichloro-5-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371519
[5-chloro-2-(ethylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 114921371
(4-chloro-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225158
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
(2,4-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348194
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
(2-amino-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43246100
(2-bromo-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 113339336
(5-bromo-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370584
(3S)-1-(2-chloro-4,5-dimethylbenzoyl)piperidine-3-carboxylic acid
CID 120514108
(3-chloro-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957621
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 110028121) is (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is Cc1cc(Cl)c(C(=O)N2CCC(CO)CC2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is FOANCGSIGMAHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-7-13(14(16)8-11(10)2)15(19)17-5-3-12(9-18)4-6-17/h7-8,12,18H,3-6,9H2,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 281.78 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110028121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).