1-[2-(4-methylphenyl)piperidin-1-yl]ethanone

C14H19NO — CID 127352065

IUPAC1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1ccc(C)cc1
InChIInChI=1S/C14H19NO/c1-11-6-8-13(9-7-11)14-5-3-4-10-15(14)12(2)16/h6-9,14H,3-5,10H2,1-2H3
InChIKeyLAKPDSPAJVNVLR-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.07
Rot. Bonds1

About 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone

1-[2-(4-methylphenyl)piperidin-1-yl]ethanone (PubChem CID 127352065) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
PubChem CID127352065
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1ccc(C)cc1
InChIInChI=1S/C14H19NO/c1-11-6-8-13(9-7-11)14-5-3-4-10-15(14)12(2)16/h6-9,14H,3-5,10H2,1-2H3
InChIKeyLAKPDSPAJVNVLR-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
3-amino-2-methyl-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120500863
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096340
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one
CID 120592294
1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone
CID 59291060

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone (CID 127352065) is 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1ccc(C)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone?
The InChIKey is LAKPDSPAJVNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-8-13(9-7-11)14-5-3-4-10-15(14)12(2)16/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone?
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 127352065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).