1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone

C15H21NO — CID 5043058

IUPAC1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-14(8-6-12)15(17)11-16-9-3-4-13(2)10-16/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyCRZXEJPVYAEWNZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone

1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 5043058) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID5043058
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-14(8-6-12)15(17)11-16-9-3-4-13(2)10-16/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyCRZXEJPVYAEWNZ-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 43227667
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
2-(3-methylpiperidin-1-yl)-1-(4-phenylmethoxyphenyl)ethanone
CID 82051816
1-(4-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170265
4-(4-methylphenyl)-3-[(3-methylpiperidin-1-yl)methyl]-4-oxobutanoic acid
CID 82098816
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82102438
4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3206736
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone (CID 5043058) is 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone is Cc1ccc(C(=O)CN2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is CRZXEJPVYAEWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-7-14(8-6-12)15(17)11-16-9-3-4-13(2)10-16/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5043058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).