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'}

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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).