1-(3-phenylphenyl)piperazine

C16H18N2 — CID 2756712

IUPAC1-(3-phenylphenyl)piperazine
SMILESc1ccc(-c2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C16H18N2/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
InChIKeyMHBONQZDOYFHIB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.76
Rot. Bonds2

About 1-(3-phenylphenyl)piperazine

1-(3-phenylphenyl)piperazine (PubChem CID 2756712) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-phenylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-phenylphenyl)piperazine
PubChem CID2756712
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-(3-phenylphenyl)piperazine
SMILESc1ccc(-c2cccc(N3CCNCC3)c2)cc1
InChIInChI=1S/C16H18N2/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2
InChIKeyMHBONQZDOYFHIB-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-phenylphenyl)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-phenylphenyl)piperazine?
The IUPAC name of 1-(3-phenylphenyl)piperazine (CID 2756712) is 1-(3-phenylphenyl)piperazine.
What is the SMILES notation for 1-(3-phenylphenyl)piperazine?
The canonical SMILES for 1-(3-phenylphenyl)piperazine is c1ccc(-c2cccc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-(3-phenylphenyl)piperazine?
The InChIKey is MHBONQZDOYFHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-5-14(6-3-1)15-7-4-8-16(13-15)18-11-9-17-10-12-18/h1-8,13,17H,9-12H2.
What are the key properties of 1-(3-phenylphenyl)piperazine?
1-(3-phenylphenyl)piperazine has a molecular weight of 238.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)piperazine is sourced from PubChem (CID 2756712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).