5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile

C27H28ClN3 — CID 102175155

IUPAC5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCN(c2ccccc2Cl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28ClN3/c28-25-14-7-8-15-26(25)31-20-18-30(19-21-31)17-9-16-27(22-29,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15H,9,16-21H2
InChIKeyGJEGSWZLGPZIRE-UHFFFAOYSA-N
MW430.00 g/mol
LogP5.75
Rot. Bonds7

About 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile

5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile (PubChem CID 102175155) has the molecular formula C27H28ClN3 and a molecular weight of 430.00 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile
PubChem CID102175155
Molecular FormulaC27H28ClN3
Molecular Weight430.00 g/mol
Exact Mass429.20
IUPAC Name5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile
SMILESN#CC(CCCN1CCN(c2ccccc2Cl)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28ClN3/c28-25-14-7-8-15-26(25)31-20-18-30(19-21-31)17-9-16-27(22-29,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15H,9,16-21H2
InChIKeyGJEGSWZLGPZIRE-UHFFFAOYSA-N
XLogP5.75
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.00
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile;hydrochloride
CID 56972186
4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,2-diphenylbutanenitrile
CID 112799666
4-[1-(4-cyano-4,4-diphenylbutyl)-4-hydroxypiperidin-4-yl]benzonitrile
CID 10789018
1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
CID 61396678
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
1-(4-chlorophenyl)-4-(4-methyl-4-phenylhexyl)piperazine
CID 70151216
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2,3-dihydroindole;oxalic acid
CID 162324636
1-(3-chloro-2-methylphenyl)-4-(5,5-dimethylhexyl)piperazine
CID 22957128
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile?
The IUPAC name of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile (CID 102175155) is 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile.
What is the SMILES notation for 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile?
The canonical SMILES for 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile is N#CC(CCCN1CCN(c2ccccc2Cl)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile?
The InChIKey is GJEGSWZLGPZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3/c28-25-14-7-8-15-26(25)31-20-18-30(19-21-31)17-9-16-27(22-29,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-15H,9,16-21H2.
What are the key properties of 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile?
5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile has a molecular weight of 430.00 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile is sourced from PubChem (CID 102175155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).