cyclohexyl-(4-methylpiperazin-1-yl)methanone

C12H22N2O — CID 667497

IUPACcyclohexyl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyFRSIMZWJVMLPAI-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds1

About cyclohexyl-(4-methylpiperazin-1-yl)methanone

cyclohexyl-(4-methylpiperazin-1-yl)methanone (PubChem CID 667497) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is cyclohexyl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-methylpiperazin-1-yl)methanone
PubChem CID667497
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Namecyclohexyl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C12H22N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h11H,2-10H2,1H3
InChIKeyFRSIMZWJVMLPAI-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 cyclohexyl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-methylpiperazin-1-yl)methanone (CID 667497) is cyclohexyl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FRSIMZWJVMLPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-7-9-14(10-8-13)12(15)11-5-3-2-4-6-11/h11H,2-10H2,1H3.
What are the key properties of cyclohexyl-(4-methylpiperazin-1-yl)methanone?
cyclohexyl-(4-methylpiperazin-1-yl)methanone 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 cyclohexyl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 667497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).