1-[2-(3-methylphenyl)prop-2-enyl]piperazine

C14H20N2 — CID 82509183

IUPAC1-[2-(3-methylphenyl)prop-2-enyl]piperazine
SMILESC=C(CN1CCNCC1)c1cccc(C)c1
InChIInChI=1S/C14H20N2/c1-12-4-3-5-14(10-12)13(2)11-16-8-6-15-7-9-16/h3-5,10,15H,2,6-9,11H2,1H3
InChIKeySYNGTMLELSKHAQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.91
Rot. Bonds3

About 1-[2-(3-methylphenyl)prop-2-enyl]piperazine

1-[2-(3-methylphenyl)prop-2-enyl]piperazine (PubChem CID 82509183) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)prop-2-enyl]piperazine
PubChem CID82509183
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[2-(3-methylphenyl)prop-2-enyl]piperazine
SMILESC=C(CN1CCNCC1)c1cccc(C)c1
InChIInChI=1S/C14H20N2/c1-12-4-3-5-14(10-12)13(2)11-16-8-6-15-7-9-16/h3-5,10,15H,2,6-9,11H2,1H3
InChIKeySYNGTMLELSKHAQ-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-methylphenyl)prop-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

1-[2-(3,4-difluorophenyl)prop-2-enyl]piperazine
CID 82511027
3-methylbenzoic acid;1-methylpiperazine
CID 174580798
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
CID 174102680
CID 174102680
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709214
piperazin-1-yl 3-methylbenzoate
CID 175416876
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
3-(3-methylphenyl)but-3-enenitrile
CID 166829284
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454797
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
2-(3-methylphenyl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230156

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[2-(3-methylphenyl)prop-2-enyl]piperazine (CID 82509183) is 1-[2-(3-methylphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(3-methylphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[2-(3-methylphenyl)prop-2-enyl]piperazine is C=C(CN1CCNCC1)c1cccc(C)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)prop-2-enyl]piperazine?
The InChIKey is SYNGTMLELSKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-12-4-3-5-14(10-12)13(2)11-16-8-6-15-7-9-16/h3-5,10,15H,2,6-9,11H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)prop-2-enyl]piperazine?
1-[2-(3-methylphenyl)prop-2-enyl]piperazine has a molecular weight of 216.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 82509183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).