(4-methylcyclohexyl)-piperazin-1-ylmethanone

C12H22N2O — CID 22229215

IUPAC(4-methylcyclohexyl)-piperazin-1-ylmethanone
SMILESCC1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H22N2O/c1-10-2-4-11(5-3-10)12(15)14-8-6-13-7-9-14/h10-11,13H,2-9H2,1H3
InChIKeyZLLRZJXDVJECDZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds1

About (4-methylcyclohexyl)-piperazin-1-ylmethanone

(4-methylcyclohexyl)-piperazin-1-ylmethanone (PubChem CID 22229215) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (4-methylcyclohexyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-piperazin-1-ylmethanone
PubChem CID22229215
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(4-methylcyclohexyl)-piperazin-1-ylmethanone
SMILESCC1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H22N2O/c1-10-2-4-11(5-3-10)12(15)14-8-6-13-7-9-14/h10-11,13H,2-9H2,1H3
InChIKeyZLLRZJXDVJECDZ-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-methylcyclohexyl)-piperazin-1-ylmethanone 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

cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
(4-methylazepan-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119307759
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
(3,3-dimethylpiperazin-1-yl)-(4-methylcyclohexyl)methanone
CID 79507271
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(4-methylpiperidin-1-yl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone
CID 119930695
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-methylcyclohexyl)-piperazin-1-ylmethanone (CID 22229215) is (4-methylcyclohexyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-methylcyclohexyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-methylcyclohexyl)-piperazin-1-ylmethanone is CC1CCC(C(=O)N2CCNCC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-piperazin-1-ylmethanone?
The InChIKey is ZLLRZJXDVJECDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-2-4-11(5-3-10)12(15)14-8-6-13-7-9-14/h10-11,13H,2-9H2,1H3.
What are the key properties of (4-methylcyclohexyl)-piperazin-1-ylmethanone?
(4-methylcyclohexyl)-piperazin-1-ylmethanone has a molecular weight of 210.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 22229215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).