1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone

C13H24N2O — CID 58544013

IUPAC1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@H](N2CCN(C)CC2)C1
InChIInChI=1S/C13H24N2O/c1-11(16)12-4-3-5-13(10-12)15-8-6-14(2)7-9-15/h12-13H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyRPMNOXDSBOVCTE-OLZOCXBDSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds2

About 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone

1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone (PubChem CID 58544013) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone
PubChem CID58544013
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone
SMILESCC(=O)[C@@H]1CCC[C@H](N2CCN(C)CC2)C1
InChIInChI=1S/C13H24N2O/c1-11(16)12-4-3-5-13(10-12)15-8-6-14(2)7-9-15/h12-13H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyRPMNOXDSBOVCTE-OLZOCXBDSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone?
The IUPAC name of 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone (CID 58544013) is 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone.
What is the SMILES notation for 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone?
The canonical SMILES for 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone is CC(=O)[C@@H]1CCC[C@H](N2CCN(C)CC2)C1.
What is the InChIKey of 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone?
The InChIKey is RPMNOXDSBOVCTE-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(16)12-4-3-5-13(10-12)15-8-6-14(2)7-9-15/h12-13H,3-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone?
1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone is sourced from PubChem (CID 58544013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).