1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one

C15H21NO — CID 116563575

IUPAC1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
SMILESCc1ccc(C(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(17)10-9-14-4-2-3-11-16-14/h5-8,14,16H,2-4,9-11H2,1H3
InChIKeyYLUXGGZEFOGQMP-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one

1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one (PubChem CID 116563575) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
PubChem CID116563575
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
SMILESCc1ccc(C(=O)CCC2CCCCN2)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(17)10-9-14-4-2-3-11-16-14/h5-8,14,16H,2-4,9-11H2,1H3
InChIKeyYLUXGGZEFOGQMP-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 116563717
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
cis-(2R,5S)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one
CID 101164261
1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one
CID 116563615
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
3-(azepan-2-yl)propanoic acid
CID 69475849
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
1-(3,4-dimethylphenyl)-2-(2-piperidin-2-ylethoxy)ethanone
CID 82353208

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one (CID 116563575) is 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one is Cc1ccc(C(=O)CCC2CCCCN2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is YLUXGGZEFOGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)15(17)10-9-14-4-2-3-11-16-14/h5-8,14,16H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one?
1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).