1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone

C15H21NO — CID 166143852

IUPAC1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C15H21NO/c1-11-6-7-14(9-12(11)2)15-5-4-8-16(10-15)13(3)17/h6-7,9,15H,4-5,8,10H2,1-3H3
InChIKeyWJGAXFJLQHKIIH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.03
Rot. Bonds1

About 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone

1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone (PubChem CID 166143852) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
PubChem CID166143852
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C15H21NO/c1-11-6-7-14(9-12(11)2)15-5-4-8-16(10-15)13(3)17/h6-7,9,15H,4-5,8,10H2,1-3H3
InChIKeyWJGAXFJLQHKIIH-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 166143876
1-[(3S)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95585399
1-[(3R)-3-(2-methyl-4-pyridinyl)piperidin-1-yl]ethanone
CID 95841320
1-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 92633130
1-[4-[(1S,2R)-2-(3,4-dimethylphenyl)cyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 95588206
3-(4-fluoro-3-methylphenyl)pyrrolidine-1-carboxylic acid
CID 175474650
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
3-[4-methyl-3-(trifluoromethylsulfonylamino)phenyl]piperidine-1-carboxylic acid
CID 18448491
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]-2-[(2-ethoxy-4-methoxyphenyl)methylamino]ethanone
CID 176581334
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]-2-[(2-ethoxy-4-methoxyphenyl)methylamino]ethanone;ethane
CID 176581333

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone (CID 166143852) is 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2ccc(C)c(C)c2)C1.
What is the InChIKey of 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone?
The InChIKey is WJGAXFJLQHKIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-7-14(9-12(11)2)15-5-4-8-16(10-15)13(3)17/h6-7,9,15H,4-5,8,10H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone?
1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 166143852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).