1-benzyl-4-(3-phenylpropyl)piperazine

C20H26N2 — CID 2845719

IUPAC1-benzyl-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2/c1-3-8-19(9-4-1)12-7-13-21-14-16-22(17-15-21)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
InChIKeyVQEIGNPANOHOSZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.44
Rot. Bonds6

About 1-benzyl-4-(3-phenylpropyl)piperazine

1-benzyl-4-(3-phenylpropyl)piperazine (PubChem CID 2845719) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-benzyl-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(3-phenylpropyl)piperazine
PubChem CID2845719
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-benzyl-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2/c1-3-8-19(9-4-1)12-7-13-21-14-16-22(17-15-21)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
InChIKeyVQEIGNPANOHOSZ-UHFFFAOYSA-N
XLogP3.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-benzyl-4-(3-phenylpropyl)piperazine (CID 2845719) is 1-benzyl-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-benzyl-4-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(3-phenylpropyl)piperazine?
The InChIKey is VQEIGNPANOHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-8-19(9-4-1)12-7-13-21-14-16-22(17-15-21)18-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2.
What are the key properties of 1-benzyl-4-(3-phenylpropyl)piperazine?
1-benzyl-4-(3-phenylpropyl)piperazine has a molecular weight of 294.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 2845719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).