1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine

C19H24N2O — CID 762919

IUPAC1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyXWGYSHGVZIBZMF-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.01
Rot. Bonds5

About 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine

1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 762919) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID762919
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyXWGYSHGVZIBZMF-UHFFFAOYSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine (CID 762919) is 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is XWGYSHGVZIBZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3.
What are the key properties of 1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine?
1-benzyl-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 296.41 g/mol, XLogP of 3.01, 5 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)methyl]piperazine is sourced from PubChem (CID 762919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).