2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one

C16H23NO — CID 116611171

IUPAC2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)(C)C2CCCNC2)c1
InChIInChI=1S/C16H23NO/c1-12-6-4-7-13(10-12)15(18)16(2,3)14-8-5-9-17-11-14/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3
InChIKeyNNDURVFYPZDJAC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.20
Rot. Bonds3

About 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one

2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one (PubChem CID 116611171) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
PubChem CID116611171
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)(C)C2CCCNC2)c1
InChIInChI=1S/C16H23NO/c1-12-6-4-7-13(10-12)15(18)16(2,3)14-8-5-9-17-11-14/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3
InChIKeyNNDURVFYPZDJAC-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-(3-methylphenyl)-2-piperidin-3-ylpropanamide
CID 83198721
2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83034566
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107515011
1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 116611214
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114737366
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
N,2-dimethyl-N-phenyl-2-piperidin-3-ylpropanamide
CID 83031422
N-(3,5-dimethylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031146
1-(2-bromo-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611257
2-nitro-1-phenyl-2-piperidin-3-ylpropan-1-one
CID 150645401
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one (CID 116611171) is 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one is Cc1cccc(C(=O)C(C)(C)C2CCCNC2)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one?
The InChIKey is NNDURVFYPZDJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-4-7-13(10-12)15(18)16(2,3)14-8-5-9-17-11-14/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one?
2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 116611171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).