2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one

C15H28N2O2 — CID 64737363

IUPAC2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCN(CCO)CC2)C(C)C1
InChIInChI=1S/C15H28N2O2/c1-12-9-13(2)14(15(19)10-12)11-17-5-3-16(4-6-17)7-8-18/h12-14,18H,3-11H2,1-2H3
InChIKeyTUDBJNLRAVGUQC-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.85
Rot. Bonds4

About 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one

2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one (PubChem CID 64737363) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one
PubChem CID64737363
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCN(CCO)CC2)C(C)C1
InChIInChI=1S/C15H28N2O2/c1-12-9-13(2)14(15(19)10-12)11-17-5-3-16(4-6-17)7-8-18/h12-14,18H,3-11H2,1-2H3
InChIKeyTUDBJNLRAVGUQC-UHFFFAOYSA-N
XLogP0.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one?
The IUPAC name of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one (CID 64737363) is 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one is CC1CC(=O)C(CN2CCN(CCO)CC2)C(C)C1.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one?
The InChIKey is TUDBJNLRAVGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-9-13(2)14(15(19)10-12)11-17-5-3-16(4-6-17)7-8-18/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one?
2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one has a molecular weight of 268.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one is sourced from PubChem (CID 64737363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).