2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one

C15H28N2O — CID 63634778

IUPAC2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
SMILESCCC1CN(CC2CC(C)CCC2=O)CCN1C
InChIInChI=1S/C15H28N2O/c1-4-14-11-17(8-7-16(14)3)10-13-9-12(2)5-6-15(13)18/h12-14H,4-11H2,1-3H3
InChIKeyYMTVHYCIDGBINX-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds3

About 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one

2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one (PubChem CID 63634778) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
PubChem CID63634778
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
SMILESCCC1CN(CC2CC(C)CCC2=O)CCN1C
InChIInChI=1S/C15H28N2O/c1-4-14-11-17(8-7-16(14)3)10-13-9-12(2)5-6-15(13)18/h12-14H,4-11H2,1-3H3
InChIKeyYMTVHYCIDGBINX-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 62613668
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612344
2-[(2-ethylazepan-1-yl)methyl]-4-methylcyclohexan-1-one
CID 104691871
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612244
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methylcyclohexan-1-one
CID 55094256
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853340
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methylcyclohexan-1-one
CID 55094446
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
CID 66370991
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 55216797
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 55216410
2-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 131031632
4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 63171111

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
The IUPAC name of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one (CID 63634778) is 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one is CCC1CN(CC2CC(C)CCC2=O)CCN1C.
What is the InChIKey of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
The InChIKey is YMTVHYCIDGBINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-14-11-17(8-7-16(14)3)10-13-9-12(2)5-6-15(13)18/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one?
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 63634778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).