1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine

C14H26N2 — CID 67027479

IUPAC1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine
SMILESC=CCC1CCC(C2CNCCN2C)CC1
InChIInChI=1S/C14H26N2/c1-3-4-12-5-7-13(8-6-12)14-11-15-9-10-16(14)2/h3,12-15H,1,4-11H2,2H3
InChIKeyPMESGQBZCOGHPG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.27
Rot. Bonds3

About 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine

1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine (PubChem CID 67027479) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine
PubChem CID67027479
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine
SMILESC=CCC1CCC(C2CNCCN2C)CC1
InChIInChI=1S/C14H26N2/c1-3-4-12-5-7-13(8-6-12)14-11-15-9-10-16(14)2/h3,12-15H,1,4-11H2,2H3
InChIKeyPMESGQBZCOGHPG-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine 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-prop-2-enylcyclohexyl)piperazine?
The IUPAC name of 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine (CID 67027479) is 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine.
What is the SMILES notation for 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine?
The canonical SMILES for 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine is C=CCC1CCC(C2CNCCN2C)CC1.
What is the InChIKey of 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine?
The InChIKey is PMESGQBZCOGHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-4-12-5-7-13(8-6-12)14-11-15-9-10-16(14)2/h3,12-15H,1,4-11H2,2H3.
What are the key properties of 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine?
1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine has a molecular weight of 222.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-prop-2-enylcyclohexyl)piperazine is sourced from PubChem (CID 67027479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).