1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one

C16H23NO — CID 62629678

IUPAC1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCCCC2C)c1
InChIInChI=1S/C16H23NO/c1-13-6-5-8-15(12-13)16(18)9-11-17-10-4-3-7-14(17)2/h5-6,8,12,14H,3-4,7,9-11H2,1-2H3
InChIKeyYYTBUWMELIRWLF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one

1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 62629678) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID62629678
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCCCC2C)c1
InChIInChI=1S/C16H23NO/c1-13-6-5-8-15(12-13)16(18)9-11-17-10-4-3-7-14(17)2/h5-6,8,12,14H,3-4,7,9-11H2,1-2H3
InChIKeyYYTBUWMELIRWLF-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
1-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 82071339
1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
CID 62612304
1-(4-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62617497
3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 55156322
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
CID 106837729
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-methylphenyl)propan-1-one
CID 63151310
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(3-methylphenyl)ethanone
CID 62035550
1-(3,5-dimethylphenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638047
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one (CID 62629678) is 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one is Cc1cccc(C(=O)CCN2CCCCC2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is YYTBUWMELIRWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-6-5-8-15(12-13)16(18)9-11-17-10-4-3-7-14(17)2/h5-6,8,12,14H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one?
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62629678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).