2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile

C15H18FN3O2 — CID 115298698

IUPAC2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C15H18FN3O2/c1-2-12(10-17)18-5-7-19(8-6-18)15(21)13-9-11(16)3-4-14(13)20/h3-4,9,12,20H,2,5-8H2,1H3
InChIKeyYUYXYXPZTVKGFD-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.59
Rot. Bonds3

About 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile

2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile (PubChem CID 115298698) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile
PubChem CID115298698
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(C(=O)c2cc(F)ccc2O)CC1
InChIInChI=1S/C15H18FN3O2/c1-2-12(10-17)18-5-7-19(8-6-18)15(21)13-9-11(16)3-4-14(13)20/h3-4,9,12,20H,2,5-8H2,1H3
InChIKeyYUYXYXPZTVKGFD-UHFFFAOYSA-N
XLogP1.59
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]butanenitrile
CID 63337775
2-[4-(2,3-difluorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337429
2-[4-(2-chloro-5-hydroxybenzoyl)piperazin-1-yl]butanenitrile
CID 106501009
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
2-[4-(2,5-dibromobenzoyl)piperazin-1-yl]butanenitrile
CID 114369478
2-[4-(2-hydroxy-3-methylbenzoyl)piperazin-1-yl]butanenitrile
CID 63337733
2-(4-benzoylpiperazin-1-yl)butanenitrile
CID 63337423
(4,4-diethylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299098
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]butanenitrile
CID 114559213
2-[4-(3-bromobenzoyl)piperazin-1-yl]butanenitrile
CID 63337687
2-[4-(3-fluorobenzoyl)piperazin-1-yl]pentanenitrile
CID 63337908
2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]butanenitrile
CID 63337858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile (CID 115298698) is 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(C(=O)c2cc(F)ccc2O)CC1.
What is the InChIKey of 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile?
The InChIKey is YUYXYXPZTVKGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-12(10-17)18-5-7-19(8-6-18)15(21)13-9-11(16)3-4-14(13)20/h3-4,9,12,20H,2,5-8H2,1H3.
What are the key properties of 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile?
2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile has a molecular weight of 291.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-hydroxybenzoyl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 115298698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).