1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

C15H28N2O — CID 22625204

IUPAC1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)(O)C(N2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)13-5-6-15(3,18)14(11-13)17-9-7-16(4)8-10-17/h13-14,18H,1,5-11H2,2-4H3
InChIKeySSQBZBOINSZHQD-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.73
Rot. Bonds2

About 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol

1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 22625204) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID22625204
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)(O)C(N2CCN(C)CC2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)13-5-6-15(3,18)14(11-13)17-9-7-16(4)8-10-17/h13-14,18H,1,5-11H2,2-4H3
InChIKeySSQBZBOINSZHQD-UHFFFAOYSA-N
XLogP1.73
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol 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 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol (CID 22625204) is 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CCC(C)(O)C(N2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is SSQBZBOINSZHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)13-5-6-15(3,18)14(11-13)17-9-7-16(4)8-10-17/h13-14,18H,1,5-11H2,2-4H3.
What are the key properties of 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol?
1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpiperazin-1-yl)-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 22625204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).