1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine

C25H28N2O — CID 4016321

IUPAC1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-28-24-15-9-8-14-23(24)20-26-16-18-27(19-17-26)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3
InChIKeyZACALRGLMFHCPU-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.60
Rot. Bonds6

About 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine

1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 4016321) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID4016321
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H28N2O/c1-28-24-15-9-8-14-23(24)20-26-16-18-27(19-17-26)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3
InChIKeyZACALRGLMFHCPU-UHFFFAOYSA-N
XLogP4.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine (CID 4016321) is 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine is COc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is ZACALRGLMFHCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-28-24-15-9-8-14-23(24)20-26-16-18-27(19-17-26)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,25H,16-20H2,1H3.
What are the key properties of 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine?
1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 372.51 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4016321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).