1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine

C26H28N2 — CID 2761

IUPAC1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2/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/h1-17,26H,18-22H2
InChIKeyDERZBLKQOCDDDZ-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.11
Rot. Bonds6

About 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine

1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 2761) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine
PubChem CID2761
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine
SMILESC(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2/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/h1-17,26H,18-22H2
InChIKeyDERZBLKQOCDDDZ-UHFFFAOYSA-N
XLogP5.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.11
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-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine (CID 2761) is 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine is C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is DERZBLKQOCDDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2/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/h1-17,26H,18-22H2.
What are the key properties of 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine?
1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 368.52 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 2761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).