(2S)-2-(3-ethenylphenyl)piperazine

C12H16N2 — CID 55265637

IUPAC(2S)-2-(3-ethenylphenyl)piperazine
SMILESC=Cc1cccc([C@H]2CNCCN2)c1
InChIInChI=1S/C12H16N2/c1-2-10-4-3-5-11(8-10)12-9-13-6-7-14-12/h2-5,8,12-14H,1,6-7,9H2/t12-/m1/s1
InChIKeyYTXVBZLCAGEPCQ-GFCCVEGCSA-N
MW188.27 g/mol
LogP1.56
Rot. Bonds2

About (2S)-2-(3-ethenylphenyl)piperazine

(2S)-2-(3-ethenylphenyl)piperazine (PubChem CID 55265637) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-(3-ethenylphenyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(3-ethenylphenyl)piperazine
PubChem CID55265637
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2S)-2-(3-ethenylphenyl)piperazine
SMILESC=Cc1cccc([C@H]2CNCCN2)c1
InChIInChI=1S/C12H16N2/c1-2-10-4-3-5-11(8-10)12-9-13-6-7-14-12/h2-5,8,12-14H,1,6-7,9H2/t12-/m1/s1
InChIKeyYTXVBZLCAGEPCQ-GFCCVEGCSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(3-ethenylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3-ethenylphenyl)pyrrolidine
CID 55252972
(2R)-2-(3-ethenylphenyl)piperidine
CID 131060850
3-piperazin-2-ylaniline
CID 45099675
2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
(2R)-2-(3-phenoxyphenyl)piperazine;hydrochloride
CID 171194229
[3-[(2S)-piperazin-2-yl]phenyl] acetate
CID 171193886
methyl 3-[(2R)-piperazin-2-yl]benzoate
CID 171194660
2-pyridin-3-ylpiperazine
CID 3872289
tert-butyl formate;3-piperazin-2-ylphenol
CID 174756939
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942
1-ethenyl-3-(2-methylcyclopropyl)benzene
CID 143843657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethenylphenyl)piperazine?
The IUPAC name of (2S)-2-(3-ethenylphenyl)piperazine (CID 55265637) is (2S)-2-(3-ethenylphenyl)piperazine.
What is the SMILES notation for (2S)-2-(3-ethenylphenyl)piperazine?
The canonical SMILES for (2S)-2-(3-ethenylphenyl)piperazine is C=Cc1cccc([C@H]2CNCCN2)c1.
What is the InChIKey of (2S)-2-(3-ethenylphenyl)piperazine?
The InChIKey is YTXVBZLCAGEPCQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-10-4-3-5-11(8-10)12-9-13-6-7-14-12/h2-5,8,12-14H,1,6-7,9H2/t12-/m1/s1.
What are the key properties of (2S)-2-(3-ethenylphenyl)piperazine?
(2S)-2-(3-ethenylphenyl)piperazine has a molecular weight of 188.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethenylphenyl)piperazine is sourced from PubChem (CID 55265637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).