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

C15H21NO — CID 82289357

IUPAC3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
SMILESCc1ccc(CCC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)8-9-15(17)14-3-2-10-16-11-14/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyQMWZKIPRMWRKMW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.50
Rot. Bonds4

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

3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one (PubChem CID 82289357) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
PubChem CID82289357
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
SMILESCc1ccc(CCC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)8-9-15(17)14-3-2-10-16-11-14/h4-7,14,16H,2-3,8-11H2,1H3
InChIKeyQMWZKIPRMWRKMW-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82294914
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
2-(4-methylphenyl)-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119314469
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
1-piperidin-3-ylnonan-1-one
CID 116547942
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
(5-methylfuran-2-yl)-piperidin-3-ylmethanone
CID 116916948
N-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 115159880

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one?
The IUPAC name of 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one (CID 82289357) is 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one?
The canonical SMILES for 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one is Cc1ccc(CCC(=O)C2CCCNC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one?
The InChIKey is QMWZKIPRMWRKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)8-9-15(17)14-3-2-10-16-11-14/h4-7,14,16H,2-3,8-11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one?
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 82289357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).