1-benzyl-4-(4-methoxyphenyl)piperazine

C18H22N2O — CID 2838609

IUPAC1-benzyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-9-7-17(8-10-18)20-13-11-19(12-14-20)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyZPPYPAHTALOUPE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds4

About 1-benzyl-4-(4-methoxyphenyl)piperazine

1-benzyl-4-(4-methoxyphenyl)piperazine (PubChem CID 2838609) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-benzyl-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-methoxyphenyl)piperazine
PubChem CID2838609
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-benzyl-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O/c1-21-18-9-7-17(8-10-18)20-13-11-19(12-14-20)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyZPPYPAHTALOUPE-UHFFFAOYSA-N
XLogP3.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-benzyl-4-(4-methoxyphenyl)piperazine (CID 2838609) is 1-benzyl-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-benzyl-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methoxyphenyl)piperazine?
The InChIKey is ZPPYPAHTALOUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-9-7-17(8-10-18)20-13-11-19(12-14-20)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-benzyl-4-(4-methoxyphenyl)piperazine?
1-benzyl-4-(4-methoxyphenyl)piperazine has a molecular weight of 282.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 2838609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).