2-(1-chloroprop-2-enyl)-1-phenylpiperazine

C13H17ClN2 — CID 175377138

IUPAC2-(1-chloroprop-2-enyl)-1-phenylpiperazine
SMILESC=CC(Cl)C1CNCCN1c1ccccc1
InChIInChI=1S/C13H17ClN2/c1-2-12(14)13-10-15-8-9-16(13)11-6-4-3-5-7-11/h2-7,12-13,15H,1,8-10H2
InChIKeyLFHUEUZRZHKJMC-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.26
Rot. Bonds3

About 2-(1-chloroprop-2-enyl)-1-phenylpiperazine

2-(1-chloroprop-2-enyl)-1-phenylpiperazine (PubChem CID 175377138) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(1-chloroprop-2-enyl)-1-phenylpiperazine.

Molecular Properties

Compound Name2-(1-chloroprop-2-enyl)-1-phenylpiperazine
PubChem CID175377138
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(1-chloroprop-2-enyl)-1-phenylpiperazine
SMILESC=CC(Cl)C1CNCCN1c1ccccc1
InChIInChI=1S/C13H17ClN2/c1-2-12(14)13-10-15-8-9-16(13)11-6-4-3-5-7-11/h2-7,12-13,15H,1,8-10H2
InChIKeyLFHUEUZRZHKJMC-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-chloroprop-2-enyl)-1-phenylpiperazine 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-(1-chloroprop-2-enyl)-1-phenylpiperazine?
The IUPAC name of 2-(1-chloroprop-2-enyl)-1-phenylpiperazine (CID 175377138) is 2-(1-chloroprop-2-enyl)-1-phenylpiperazine.
What is the SMILES notation for 2-(1-chloroprop-2-enyl)-1-phenylpiperazine?
The canonical SMILES for 2-(1-chloroprop-2-enyl)-1-phenylpiperazine is C=CC(Cl)C1CNCCN1c1ccccc1.
What is the InChIKey of 2-(1-chloroprop-2-enyl)-1-phenylpiperazine?
The InChIKey is LFHUEUZRZHKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-2-12(14)13-10-15-8-9-16(13)11-6-4-3-5-7-11/h2-7,12-13,15H,1,8-10H2.
What are the key properties of 2-(1-chloroprop-2-enyl)-1-phenylpiperazine?
2-(1-chloroprop-2-enyl)-1-phenylpiperazine has a molecular weight of 236.75 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroprop-2-enyl)-1-phenylpiperazine is sourced from PubChem (CID 175377138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).