5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile

C17H24FN3 — CID 65257938

IUPAC5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3/c1-17(2,14-19)8-3-9-20-10-12-21(13-11-20)16-6-4-15(18)5-7-16/h4-7H,3,8-13H2,1-2H3
InChIKeyGFQOKXFLJXQSKH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.28
Rot. Bonds5

About 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile

5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 65257938) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile
PubChem CID65257938
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3/c1-17(2,14-19)8-3-9-20-10-12-21(13-11-20)16-6-4-15(18)5-7-16/h4-7H,3,8-13H2,1-2H3
InChIKeyGFQOKXFLJXQSKH-UHFFFAOYSA-N
XLogP3.28
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257940
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131
2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanenitrile
CID 65257365
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
6-(4-tert-butylpiperazin-1-yl)-2,2-dimethylhexanenitrile
CID 106709889
[4-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]phenyl]azanide
CID 158330325
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4083768
N-[2,2-bis(4-chlorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]formamide;dihydrochloride
CID 19029031
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile
CID 20727020
4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoic acid
CID 22180536

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile (CID 65257938) is 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is GFQOKXFLJXQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-17(2,14-19)8-3-9-20-10-12-21(13-11-20)16-6-4-15(18)5-7-16/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile?
5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 289.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).