2-(4-ethylphenyl)-1-piperidin-2-ylethanone

C15H21NO — CID 116547776

IUPAC2-(4-ethylphenyl)-1-piperidin-2-ylethanone
SMILESCCc1ccc(CC(=O)C2CCCCN2)cc1
InChIInChI=1S/C15H21NO/c1-2-12-6-8-13(9-7-12)11-15(17)14-5-3-4-10-16-14/h6-9,14,16H,2-5,10-11H2,1H3
InChIKeyYBOUEIGDRKBTNV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-ethylphenyl)-1-piperidin-2-ylethanone

2-(4-ethylphenyl)-1-piperidin-2-ylethanone (PubChem CID 116547776) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-piperidin-2-ylethanone
PubChem CID116547776
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(4-ethylphenyl)-1-piperidin-2-ylethanone
SMILESCCc1ccc(CC(=O)C2CCCCN2)cc1
InChIInChI=1S/C15H21NO/c1-2-12-6-8-13(9-7-12)11-15(17)14-5-3-4-10-16-14/h6-9,14,16H,2-5,10-11H2,1H3
InChIKeyYBOUEIGDRKBTNV-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

1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
2-[4-(2-methylpropyl)phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 147204256
2-[4-[2-(4-cyclohexylphenyl)-3-[4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]phenyl]cyclopropyl]phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 162164482
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
2-(3-chloro-4-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 82088330
2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
CID 116547886
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-piperidin-2-ylethanone (CID 116547776) is 2-(4-ethylphenyl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-piperidin-2-ylethanone is CCc1ccc(CC(=O)C2CCCCN2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-piperidin-2-ylethanone?
The InChIKey is YBOUEIGDRKBTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12-6-8-13(9-7-12)11-15(17)14-5-3-4-10-16-14/h6-9,14,16H,2-5,10-11H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-piperidin-2-ylethanone?
2-(4-ethylphenyl)-1-piperidin-2-ylethanone 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 2-(4-ethylphenyl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).