2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one

C16H23NO — CID 113198016

IUPAC2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13-7-9-14(10-8-13)16(2,3)15(18)17-11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMCEZRIIJDZUJJN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds2

About 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one

2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one (PubChem CID 113198016) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
PubChem CID113198016
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13-7-9-14(10-8-13)16(2,3)15(18)17-11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyMCEZRIIJDZUJJN-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(azepan-1-yl)-2-(4-chlorophenyl)-2-methylpropan-1-one
CID 11673560
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
5-methyl-1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122119751
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168579
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198091
2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119395655
2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621989
2-methyl-1-piperidin-1-yl-2-(4-prop-2-enylsulfonylphenyl)propan-1-one
CID 141345520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one (CID 113198016) is 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one is Cc1ccc(C(C)(C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is MCEZRIIJDZUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-7-9-14(10-8-13)16(2,3)15(18)17-11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one?
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113198016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).