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

C15H20ClNO — CID 62224274

IUPAC2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
SMILESCCc1ccc(C(Cl)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20ClNO/c1-2-12-6-8-13(9-7-12)14(16)15(18)17-10-4-3-5-11-17/h6-9,14H,2-5,10-11H2,1H3
InChIKeyLHEGLSSGPTUDRF-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.54
Rot. Bonds3

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

2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone (PubChem CID 62224274) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
PubChem CID62224274
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
SMILESCCc1ccc(C(Cl)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20ClNO/c1-2-12-6-8-13(9-7-12)14(16)15(18)17-10-4-3-5-11-17/h6-9,14H,2-5,10-11H2,1H3
InChIKeyLHEGLSSGPTUDRF-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
2-chloro-2-(4-methoxyphenyl)-1-piperidin-1-ylethanone
CID 55048012
2-chloro-2-(4-propoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 62496445
2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
2-chloro-2-(3,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 55047866
1-(azepan-1-yl)-2-chloro-2-(6-methoxy-3-pyridinyl)ethanone
CID 114938447
2-chloro-1-pyrrolidin-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanone
CID 62224994
2-chloro-2-(3,5-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 62225924
2-chloro-2-(4-fluoro-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 62226493
3-chloro-3-(4-ethylphenyl)-2-oxopropanoic acid
CID 87238068
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone (CID 62224274) is 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone is CCc1ccc(C(Cl)C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone?
The InChIKey is LHEGLSSGPTUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-12-6-8-13(9-7-12)14(16)15(18)17-10-4-3-5-11-17/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone?
2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone has a molecular weight of 265.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 62224274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).