[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone

C14H26N2O2 — CID 71154101

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17/h12-13,17H,2-11H2,1H3
InChIKeyQNJOWGMVMJWOTP-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.95
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone (PubChem CID 71154101) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
PubChem CID71154101
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCN(CCO)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17/h12-13,17H,2-11H2,1H3
InChIKeyQNJOWGMVMJWOTP-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone 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 [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone (CID 71154101) is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCN(CCO)CC2)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is QNJOWGMVMJWOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17/h12-13,17H,2-11H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 254.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 71154101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).