2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile

C15H19FN2O — CID 103886136

IUPAC2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCCCC2CCO)c1F
InChIInChI=1S/C15H19FN2O/c16-15-12(10-17)4-3-5-13(15)11-18-8-2-1-6-14(18)7-9-19/h3-5,14,19H,1-2,6-9,11H2
InChIKeyFECHWJJAVSYFCZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.43
Rot. Bonds4

About 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile

2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 103886136) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
PubChem CID103886136
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCCCC2CCO)c1F
InChIInChI=1S/C15H19FN2O/c16-15-12(10-17)4-3-5-13(15)11-18-8-2-1-6-14(18)7-9-19/h3-5,14,19H,1-2,6-9,11H2
InChIKeyFECHWJJAVSYFCZ-UHFFFAOYSA-N
XLogP2.43
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
4-fluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 64764855
methyl 1-[(3-cyano-2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 103911994
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
methyl 1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 103886139
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-fluorobenzonitrile
CID 103912086
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
3-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2-fluorobenzonitrile
CID 103912390
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 56908889
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 60690062
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-fluorobenzonitrile
CID 103912005
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile (CID 103886136) is 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile is N#Cc1cccc(CN2CCCCC2CCO)c1F.
What is the InChIKey of 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is FECHWJJAVSYFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-15-12(10-17)4-3-5-13(15)11-18-8-2-1-6-14(18)7-9-19/h3-5,14,19H,1-2,6-9,11H2.
What are the key properties of 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 103886136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).