3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one

C14H26N2O — CID 64734815

IUPAC3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCN(C)CC2)C(C)C1
InChIInChI=1S/C14H26N2O/c1-11-8-12(2)13(14(17)9-11)10-16-6-4-15(3)5-7-16/h11-13H,4-10H2,1-3H3
InChIKeyOKUCVWJWMMDGGB-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.49
Rot. Bonds2

About 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one

3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one (PubChem CID 64734815) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
PubChem CID64734815
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCN(C)CC2)C(C)C1
InChIInChI=1S/C14H26N2O/c1-11-8-12(2)13(14(17)9-11)10-16-6-4-15(3)5-7-16/h11-13H,4-10H2,1-3H3
InChIKeyOKUCVWJWMMDGGB-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one (CID 64734815) is 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one is CC1CC(=O)C(CN2CCN(C)CC2)C(C)C1.
What is the InChIKey of 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is OKUCVWJWMMDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-8-12(2)13(14(17)9-11)10-16-6-4-15(3)5-7-16/h11-13H,4-10H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one?
3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 64734815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).