2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone

C15H20ClNO — CID 54876088

IUPAC2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone
SMILESCCC1CCN(C(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-2-12-8-10-17(11-9-12)15(18)14(16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyPNCIYQLQUDGEES-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone

2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone (PubChem CID 54876088) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone
PubChem CID54876088
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone
SMILESCCC1CCN(C(=O)C(Cl)c2ccccc2)CC1
InChIInChI=1S/C15H20ClNO/c1-2-12-8-10-17(11-9-12)15(18)14(16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyPNCIYQLQUDGEES-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 43133201
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63972711
2-chloro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 64569488
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]-2-phenylethanone
CID 43585921
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975484
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
3-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]propanenitrile
CID 115347864
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone (CID 54876088) is 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone is CCC1CCN(C(=O)C(Cl)c2ccccc2)CC1.
What is the InChIKey of 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is PNCIYQLQUDGEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-12-8-10-17(11-9-12)15(18)14(16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone?
2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 265.78 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 54876088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).