1-benzyl-4-phenylpiperazine

C17H20N2 — CID 511484

IUPAC1-benzyl-4-phenylpiperazine
SMILESc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyVEJWDLHOLWGRLH-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.01
Rot. Bonds3

About 1-benzyl-4-phenylpiperazine

1-benzyl-4-phenylpiperazine (PubChem CID 511484) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-benzyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-phenylpiperazine
PubChem CID511484
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-benzyl-4-phenylpiperazine
SMILESc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyVEJWDLHOLWGRLH-UHFFFAOYSA-N
XLogP3.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylpiperazine?
The IUPAC name of 1-benzyl-4-phenylpiperazine (CID 511484) is 1-benzyl-4-phenylpiperazine.
What is the SMILES notation for 1-benzyl-4-phenylpiperazine?
The canonical SMILES for 1-benzyl-4-phenylpiperazine is c1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-phenylpiperazine?
The InChIKey is VEJWDLHOLWGRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-7-16(8-4-1)15-18-11-13-19(14-12-18)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 1-benzyl-4-phenylpiperazine?
1-benzyl-4-phenylpiperazine has a molecular weight of 252.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylpiperazine is sourced from PubChem (CID 511484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).