1-benzhydryl-4-(4,4-diphenylbutyl)piperazine

C33H36N2 — CID 46879832

IUPAC1-benzhydryl-4-(4,4-diphenylbutyl)piperazine
SMILESc1ccc(C(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C33H36N2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-13-23-34-24-26-35(27-25-34)33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2
InChIKeyMICPQZJRSOUTGV-UHFFFAOYSA-N
MW460.67 g/mol
LogP7.01
Rot. Bonds9

About 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine

1-benzhydryl-4-(4,4-diphenylbutyl)piperazine (PubChem CID 46879832) has the molecular formula C33H36N2 and a molecular weight of 460.67 g/mol. Its IUPAC name is 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(4,4-diphenylbutyl)piperazine
PubChem CID46879832
Molecular FormulaC33H36N2
Molecular Weight460.67 g/mol
Exact Mass460.29
IUPAC Name1-benzhydryl-4-(4,4-diphenylbutyl)piperazine
SMILESc1ccc(C(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C33H36N2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-13-23-34-24-26-35(27-25-34)33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2
InChIKeyMICPQZJRSOUTGV-UHFFFAOYSA-N
XLogP7.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine (CID 46879832) is 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine is c1ccc(C(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine?
The InChIKey is MICPQZJRSOUTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-13-23-34-24-26-35(27-25-34)33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2.
What are the key properties of 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine?
1-benzhydryl-4-(4,4-diphenylbutyl)piperazine has a molecular weight of 460.67 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine is sourced from PubChem (CID 46879832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).