2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one

C16H23NO — CID 3599580

IUPAC2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC1CCN(CC(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-13-8-10-17(11-9-13)12-14(2)16(18)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyWCUNKLPJSIFWCQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one

2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one (PubChem CID 3599580) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
PubChem CID3599580
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC1CCN(CC(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-13-8-10-17(11-9-13)12-14(2)16(18)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyWCUNKLPJSIFWCQ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
3-(4-tert-butylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
CID 62613502
1-(2-fluorophenyl)-2-methyl-3-(4-methylazepan-1-yl)propan-1-one
CID 115996606
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662
3-(4-benzylpiperazin-1-yl)-2-methyl-1-(4-methylphenyl)propan-1-one
CID 12952312
4-(4-methylphenyl)-3-[(4-methylpiperidin-1-yl)methyl]-4-oxobutanoic acid
CID 82098824
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-1-phenylpropan-1-one
CID 62614127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one (CID 3599580) is 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one is CC1CCN(CC(C)C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
The InChIKey is WCUNKLPJSIFWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-8-10-17(11-9-13)12-14(2)16(18)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one?
2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 3599580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).