1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine

C28H34N2OS — CID 90389499

IUPAC1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine
SMILESO=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKeyOSQGMONXHXSENF-UHFFFAOYSA-N
MW446.66 g/mol
LogP4.78
Rot. Bonds10

About 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine

1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine (PubChem CID 90389499) has the molecular formula C28H34N2OS and a molecular weight of 446.66 g/mol. Its IUPAC name is 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine
PubChem CID90389499
Molecular FormulaC28H34N2OS
Molecular Weight446.66 g/mol
Exact Mass446.24
IUPAC Name1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine
SMILESO=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2
InChIKeyOSQGMONXHXSENF-UHFFFAOYSA-N
XLogP4.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.66
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine (CID 90389499) is 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine is O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine?
The InChIKey is OSQGMONXHXSENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2OS/c31-32(28(26-14-6-2-7-15-26)27-16-8-3-9-17-27)24-23-30-21-19-29(20-22-30)18-10-13-25-11-4-1-5-12-25/h1-9,11-12,14-17,28H,10,13,18-24H2.
What are the key properties of 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine?
1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine has a molecular weight of 446.66 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydrylsulfinylethyl)-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 90389499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).