1-(4-benzylphenyl)piperazine

C17H20N2 — CID 4738749

IUPAC1-(4-benzylphenyl)piperazine
SMILESc1ccc(Cc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKeyCRVRGEZHMOCDHL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.69
Rot. Bonds3

About 1-(4-benzylphenyl)piperazine

1-(4-benzylphenyl)piperazine (PubChem CID 4738749) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-benzylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-benzylphenyl)piperazine
PubChem CID4738749
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-(4-benzylphenyl)piperazine
SMILESc1ccc(Cc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H20N2/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKeyCRVRGEZHMOCDHL-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)piperazine?
The IUPAC name of 1-(4-benzylphenyl)piperazine (CID 4738749) is 1-(4-benzylphenyl)piperazine.
What is the SMILES notation for 1-(4-benzylphenyl)piperazine?
The canonical SMILES for 1-(4-benzylphenyl)piperazine is c1ccc(Cc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)piperazine?
The InChIKey is CRVRGEZHMOCDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)19-12-10-18-11-13-19/h1-9,18H,10-14H2.
What are the key properties of 1-(4-benzylphenyl)piperazine?
1-(4-benzylphenyl)piperazine has a molecular weight of 252.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)piperazine is sourced from PubChem (CID 4738749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).