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

C25H28N2O — CID 2845796

IUPAC1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H28N2O/c1-3-7-22(8-4-1)19-26-15-17-27(18-16-26)20-23-11-13-25(14-12-23)28-21-24-9-5-2-6-10-24/h1-14H,15-21H2
InChIKeyJHUOYCZWDRDGTI-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.58
Rot. Bonds7

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

1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 2845796) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID2845796
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESc1ccc(COc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C25H28N2O/c1-3-7-22(8-4-1)19-26-15-17-27(18-16-26)20-23-11-13-25(14-12-23)28-21-24-9-5-2-6-10-24/h1-14H,15-21H2
InChIKeyJHUOYCZWDRDGTI-UHFFFAOYSA-N
XLogP4.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.58
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-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine (CID 2845796) is 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine is c1ccc(COc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is JHUOYCZWDRDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-3-7-22(8-4-1)19-26-15-17-27(18-16-26)20-23-11-13-25(14-12-23)28-21-24-9-5-2-6-10-24/h1-14H,15-21H2.
What are the key properties of 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 372.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2845796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).