2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride

C15H22ClNO — CID 162318188

IUPAC2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride
SMILESCc1cc(C)cc(CC(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-12-8-13(2)10-14(9-12)11-15(17)16-6-4-3-5-7-16;/h8-10H,3-7,11H2,1-2H3;1H
InChIKeyOHIOYUKMFWTRCK-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.28
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride

2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 162318188) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride
PubChem CID162318188
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride
SMILESCc1cc(C)cc(CC(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-12-8-13(2)10-14(9-12)11-15(17)16-6-4-3-5-7-16;/h8-10H,3-7,11H2,1-2H3;1H
InChIKeyOHIOYUKMFWTRCK-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3,5-dimethylphenyl)acetyl]piperidine-4-carbonitrile
CID 174745479
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
CID 110848830
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-(azepan-1-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 60634792
2-(4-aminophenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837247

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride (CID 162318188) is 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride is Cc1cc(C)cc(CC(=O)N2CCCCC2)c1.Cl.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is OHIOYUKMFWTRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-12-8-13(2)10-14(9-12)11-15(17)16-6-4-3-5-7-16;/h8-10H,3-7,11H2,1-2H3;1H.
What are the key properties of 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride?
2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 162318188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).