4-methyl-1-(4-methylcyclohexyl)piperazin-2-one

C12H22N2O — CID 58893252

IUPAC4-methyl-1-(4-methylcyclohexyl)piperazin-2-one
SMILESCC1CCC(N2CCN(C)CC2=O)CC1
InChIInChI=1S/C12H22N2O/c1-10-3-5-11(6-4-10)14-8-7-13(2)9-12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyRRGGTNVAJZPRRF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds1

About 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one

4-methyl-1-(4-methylcyclohexyl)piperazin-2-one (PubChem CID 58893252) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-(4-methylcyclohexyl)piperazin-2-one
PubChem CID58893252
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-methyl-1-(4-methylcyclohexyl)piperazin-2-one
SMILESCC1CCC(N2CCN(C)CC2=O)CC1
InChIInChI=1S/C12H22N2O/c1-10-3-5-11(6-4-10)14-8-7-13(2)9-12(14)15/h10-11H,3-9H2,1-2H3
InChIKeyRRGGTNVAJZPRRF-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one?
The IUPAC name of 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one (CID 58893252) is 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one.
What is the SMILES notation for 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one?
The canonical SMILES for 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one is CC1CCC(N2CCN(C)CC2=O)CC1.
What is the InChIKey of 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one?
The InChIKey is RRGGTNVAJZPRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-3-5-11(6-4-10)14-8-7-13(2)9-12(14)15/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one?
4-methyl-1-(4-methylcyclohexyl)piperazin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylcyclohexyl)piperazin-2-one is sourced from PubChem (CID 58893252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).