2-(4-ethylphenyl)-1-piperidin-3-ylethanone

C15H21NO — CID 82082195

IUPAC2-(4-ethylphenyl)-1-piperidin-3-ylethanone
SMILESCCc1ccc(CC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H21NO/c1-2-12-5-7-13(8-6-12)10-15(17)14-4-3-9-16-11-14/h5-8,14,16H,2-4,9-11H2,1H3
InChIKeyIXYAIVZNFBJNKM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-ethylphenyl)-1-piperidin-3-ylethanone

2-(4-ethylphenyl)-1-piperidin-3-ylethanone (PubChem CID 82082195) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-piperidin-3-ylethanone
PubChem CID82082195
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(4-ethylphenyl)-1-piperidin-3-ylethanone
SMILESCCc1ccc(CC(=O)C2CCCNC2)cc1
InChIInChI=1S/C15H21NO/c1-2-12-5-7-13(8-6-12)10-15(17)14-4-3-9-16-11-14/h5-8,14,16H,2-4,9-11H2,1H3
InChIKeyIXYAIVZNFBJNKM-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409929
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82289357
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
CID 116548022
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
CID 116548098
2-(3-ethyl-1-methylpyrazol-5-yl)-1-piperidin-3-ylethanone
CID 116548028

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-piperidin-3-ylethanone (CID 82082195) is 2-(4-ethylphenyl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-piperidin-3-ylethanone is CCc1ccc(CC(=O)C2CCCNC2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-piperidin-3-ylethanone?
The InChIKey is IXYAIVZNFBJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12-5-7-13(8-6-12)10-15(17)14-4-3-9-16-11-14/h5-8,14,16H,2-4,9-11H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-piperidin-3-ylethanone?
2-(4-ethylphenyl)-1-piperidin-3-ylethanone has a molecular weight of 231.34 g/mol, XLogP of 2.36, 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-3-ylethanone is sourced from PubChem (CID 82082195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).