1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride

C12H23ClN2O — CID 67112219

IUPAC1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
SMILESCC1(C)CCC(N2CCNCC2=O)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)5-3-10(4-6-12)14-8-7-13-9-11(14)15;/h10,13H,3-9H2,1-2H3;1H
InChIKeyOSIURHJDEKSTJG-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.81
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride

1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride (PubChem CID 67112219) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
PubChem CID67112219
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
SMILESCC1(C)CCC(N2CCNCC2=O)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-12(2)5-3-10(4-6-12)14-8-7-13-9-11(14)15;/h10,13H,3-9H2,1-2H3;1H
InChIKeyOSIURHJDEKSTJG-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride (CID 67112219) is 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride is CC1(C)CCC(N2CCNCC2=O)CC1.Cl.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride?
The InChIKey is OSIURHJDEKSTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-12(2)5-3-10(4-6-12)14-8-7-13-9-11(14)15;/h10,13H,3-9H2,1-2H3;1H.
What are the key properties of 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride?
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 67112219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).