2-(4-Hept-6-enylpiperazin-1-yl)ethanol

C13H26N2O — CID 107010074

IUPAC2-(4-hept-6-enylpiperazin-1-yl)ethanol
SMILESC=CCCCCCN1CCN(CC1)CCO
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)12-13-16/h2,16H,1,3-13H2
InChIKeyPMZISRAYLPHGPI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.80
Rot. Bonds8

About 2-(4-Hept-6-enylpiperazin-1-yl)ethanol

2-(4-Hept-6-enylpiperazin-1-yl)ethanol (PubChem CID 107010074) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(4-hept-6-enylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-Hept-6-enylpiperazin-1-yl)ethanol
PubChem CID107010074
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(4-hept-6-enylpiperazin-1-yl)ethanol
SMILESC=CCCCCCN1CCN(CC1)CCO
InChIInChI=1S/C13H26N2O/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)12-13-16/h2,16H,1,3-13H2
InChIKeyPMZISRAYLPHGPI-UHFFFAOYSA-N
XLogP1.80
TPSA26.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-Hept-6-enylpiperazin-1-yl)ethanol 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-Hept-6-enylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-Hept-6-enylpiperazin-1-yl)ethanol (CID 107010074) is 2-(4-hept-6-enylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-Hept-6-enylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-Hept-6-enylpiperazin-1-yl)ethanol is C=CCCCCCN1CCN(CC1)CCO.
What is the InChIKey of 2-(4-Hept-6-enylpiperazin-1-yl)ethanol?
The InChIKey is PMZISRAYLPHGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)12-13-16/h2,16H,1,3-13H2.
What are the key properties of 2-(4-Hept-6-enylpiperazin-1-yl)ethanol?
2-(4-Hept-6-enylpiperazin-1-yl)ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Hept-6-enylpiperazin-1-yl)ethanol is sourced from PubChem (CID 107010074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).