3-benzyl-1-(3-methoxyphenyl)piperazine

C18H22N2O — CID 57219049

IUPAC3-benzyl-1-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-21-18-9-5-8-17(13-18)20-11-10-19-16(14-20)12-15-6-3-2-4-7-15/h2-9,13,16,19H,10-12,14H2,1H3
InChIKeyLFAUWARFODANDZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.72
Rot. Bonds4

About 3-benzyl-1-(3-methoxyphenyl)piperazine

3-benzyl-1-(3-methoxyphenyl)piperazine (PubChem CID 57219049) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-benzyl-1-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(3-methoxyphenyl)piperazine
PubChem CID57219049
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-benzyl-1-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C18H22N2O/c1-21-18-9-5-8-17(13-18)20-11-10-19-16(14-20)12-15-6-3-2-4-7-15/h2-9,13,16,19H,10-12,14H2,1H3
InChIKeyLFAUWARFODANDZ-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-methoxyphenyl)piperazine?
The IUPAC name of 3-benzyl-1-(3-methoxyphenyl)piperazine (CID 57219049) is 3-benzyl-1-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(3-methoxyphenyl)piperazine?
The canonical SMILES for 3-benzyl-1-(3-methoxyphenyl)piperazine is COc1cccc(N2CCNC(Cc3ccccc3)C2)c1.
What is the InChIKey of 3-benzyl-1-(3-methoxyphenyl)piperazine?
The InChIKey is LFAUWARFODANDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-9-5-8-17(13-18)20-11-10-19-16(14-20)12-15-6-3-2-4-7-15/h2-9,13,16,19H,10-12,14H2,1H3.
What are the key properties of 3-benzyl-1-(3-methoxyphenyl)piperazine?
3-benzyl-1-(3-methoxyphenyl)piperazine has a molecular weight of 282.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 57219049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).