2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one

C12H22N2O — CID 62615095

IUPAC2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCN1CCN(CC2CCCCC2=O)CC1
InChIInChI=1S/C12H22N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h11H,2-10H2,1H3
InChIKeyIZSHOVBXFMVZIH-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one

2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one (PubChem CID 62615095) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
PubChem CID62615095
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCN1CCN(CC2CCCCC2=O)CC1
InChIInChI=1S/C12H22N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h11H,2-10H2,1H3
InChIKeyIZSHOVBXFMVZIH-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one (CID 62615095) is 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one is CN1CCN(CC2CCCCC2=O)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is IZSHOVBXFMVZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-6-8-14(9-7-13)10-11-4-2-3-5-12(11)15/h11H,2-10H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 62615095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).