2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile

C26H27N3 — CID 605100

IUPAC2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile
SMILESN#CC(CCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3/c27-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)25-14-8-3-9-15-25/h1-15H,16-21H2
InChIKeyVIFMNVDJPVBVHB-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.71
Rot. Bonds6

About 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile

2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile (PubChem CID 605100) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile
PubChem CID605100
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC Name2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile
SMILESN#CC(CCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N3/c27-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)25-14-8-3-9-15-25/h1-15H,16-21H2
InChIKeyVIFMNVDJPVBVHB-UHFFFAOYSA-N
XLogP4.71
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile?
The IUPAC name of 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile (CID 605100) is 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile is N#CC(CCN1CCN(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile?
The InChIKey is VIFMNVDJPVBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c27-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)25-14-8-3-9-15-25/h1-15H,16-21H2.
What are the key properties of 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile?
2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile has a molecular weight of 381.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-4-(4-phenylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 605100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).