2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone

C13H22Cl2N2O — CID 163165853

IUPAC2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone
SMILESNC1CCCCN1CC(=O)C1CCC(Cl)C(Cl)C1
InChIInChI=1S/C13H22Cl2N2O/c14-10-5-4-9(7-11(10)15)12(18)8-17-6-2-1-3-13(17)16/h9-11,13H,1-8,16H2
InChIKeyGDKGSLZEYFMCKF-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone

2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone (PubChem CID 163165853) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone
PubChem CID163165853
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone
SMILESNC1CCCCN1CC(=O)C1CCC(Cl)C(Cl)C1
InChIInChI=1S/C13H22Cl2N2O/c14-10-5-4-9(7-11(10)15)12(18)8-17-6-2-1-3-13(17)16/h9-11,13H,1-8,16H2
InChIKeyGDKGSLZEYFMCKF-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone 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-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone
CID 163117426
4-(2-aminopiperidin-1-yl)butanoic acid
CID 77220070
1-(3,4-dichlorocyclohexyl)-2-(2,8-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl)ethanone
CID 163125556
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
N-[2-(2-aminopyrrolidin-1-yl)acetyl]-2,2,2-trifluoroacetamide
CID 151523785
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-cyclopentylethanone
CID 104750870
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
1-(3,4-dichlorocyclohexyl)-2-(2,4-dimethylpiperidin-1-ium-1-yl)ethanone
CID 163163981
2-(2-amino-5-iodopiperidin-1-yl)-1-[3-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163121886
1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
CID 138700109
2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163178219
1-[(3-methylcyclohexyl)methyl]piperidin-2-amine
CID 163170987

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone?
The IUPAC name of 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone (CID 163165853) is 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone.
What is the SMILES notation for 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone?
The canonical SMILES for 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone is NC1CCCCN1CC(=O)C1CCC(Cl)C(Cl)C1.
What is the InChIKey of 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone?
The InChIKey is GDKGSLZEYFMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2N2O/c14-10-5-4-9(7-11(10)15)12(18)8-17-6-2-1-3-13(17)16/h9-11,13H,1-8,16H2.
What are the key properties of 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone?
2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone has a molecular weight of 293.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone is sourced from PubChem (CID 163165853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).