(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine

C20H24N2 — CID 69486967

IUPAC(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)C[C@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C20H24N2/c1-3-8-18(9-4-1)12-7-13-20-17-22(15-14-21-20)16-19-10-5-2-6-11-19/h1-12,20-21H,13-17H2/t20-/m0/s1
InChIKeyJIPXUVFVPNBRJL-FQEVSTJZSA-N
MW292.43 g/mol
LogP3.56
Rot. Bonds5

About (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine

(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine (PubChem CID 69486967) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
PubChem CID69486967
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)C[C@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C20H24N2/c1-3-8-18(9-4-1)12-7-13-20-17-22(15-14-21-20)16-19-10-5-2-6-11-19/h1-12,20-21H,13-17H2/t20-/m0/s1
InChIKeyJIPXUVFVPNBRJL-FQEVSTJZSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-benzyl-3-(3-phenylprop-2-enyl)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

(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
1-benzyl-3-butylpiperazine
CID 19353079
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
(2R)-4-benzyl-2-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxylic acid
CID 68987473
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
1-[(2S)-4-benzylpiperazin-2-yl]propan-2-one;tert-butyl formate
CID 174536749

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine (CID 69486967) is (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine is C(=Cc1ccccc1)C[C@H]1CN(Cc2ccccc2)CCN1.
What is the InChIKey of (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine?
The InChIKey is JIPXUVFVPNBRJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-8-18(9-4-1)12-7-13-20-17-22(15-14-21-20)16-19-10-5-2-6-11-19/h1-12,20-21H,13-17H2/t20-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine?
(3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine has a molecular weight of 292.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 69486967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).