1-benzhydryl-4-(3-phenylpropyl)piperazine

C26H30N2 — CID 12563605

IUPAC1-benzhydryl-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,26H,10,13,18-22H2
InChIKeyOCKVNJXFPFUTLI-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.03
Rot. Bonds7

About 1-benzhydryl-4-(3-phenylpropyl)piperazine

1-benzhydryl-4-(3-phenylpropyl)piperazine (PubChem CID 12563605) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-benzhydryl-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(3-phenylpropyl)piperazine
PubChem CID12563605
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name1-benzhydryl-4-(3-phenylpropyl)piperazine
SMILESc1ccc(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,26H,10,13,18-22H2
InChIKeyOCKVNJXFPFUTLI-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(3-phenylpropyl)piperazine (CID 12563605) is 1-benzhydryl-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(3-phenylpropyl)piperazine is c1ccc(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzhydryl-4-(3-phenylpropyl)piperazine?
The InChIKey is OCKVNJXFPFUTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-9,11-12,14-17,26H,10,13,18-22H2.
What are the key properties of 1-benzhydryl-4-(3-phenylpropyl)piperazine?
1-benzhydryl-4-(3-phenylpropyl)piperazine has a molecular weight of 370.54 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 12563605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).