2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol

C15H22N2O — CID 782659

IUPAC2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-7,18H,8-14H2/b7-4+
InChIKeyIIOZWXHHYZCCSB-QPJJXVBHSA-N
MW246.35 g/mol
LogP1.31
Rot. Bonds5

About 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol

2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol (PubChem CID 782659) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
PubChem CID782659
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C15H22N2O/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-7,18H,8-14H2/b7-4+
InChIKeyIIOZWXHHYZCCSB-QPJJXVBHSA-N
XLogP1.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-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-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol (CID 782659) is 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol is OCCN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
The InChIKey is IIOZWXHHYZCCSB-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H22N2O/c18-14-13-17-11-9-16(10-12-17)8-4-7-15-5-2-1-3-6-15/h1-7,18H,8-14H2/b7-4+.
What are the key properties of 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol has a molecular weight of 246.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 782659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).