1-[[3-(3-methylphenyl)phenyl]methyl]piperazine

C18H22N2 — CID 82092036

IUPAC1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2cccc(CN3CCNCC3)c2)c1
InChIInChI=1S/C18H22N2/c1-15-4-2-6-17(12-15)18-7-3-5-16(13-18)14-20-10-8-19-9-11-20/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyDPKYIVPOZWBTIH-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.07
Rot. Bonds3

About 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine

1-[[3-(3-methylphenyl)phenyl]methyl]piperazine (PubChem CID 82092036) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
PubChem CID82092036
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2cccc(CN3CCNCC3)c2)c1
InChIInChI=1S/C18H22N2/c1-15-4-2-6-17(12-15)18-7-3-5-16(13-18)14-20-10-8-19-9-11-20/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyDPKYIVPOZWBTIH-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine 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 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine (CID 82092036) is 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine is Cc1cccc(-c2cccc(CN3CCNCC3)c2)c1.
What is the InChIKey of 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine?
The InChIKey is DPKYIVPOZWBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-4-2-6-17(12-15)18-7-3-5-16(13-18)14-20-10-8-19-9-11-20/h2-7,12-13,19H,8-11,14H2,1H3.
What are the key properties of 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine?
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine has a molecular weight of 266.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methylphenyl)phenyl]methyl]piperazine is sourced from PubChem (CID 82092036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).