2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile

C15H20FN3 — CID 107119035

IUPAC2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile
SMILESCNC1(C)CCN(Cc2cccc(C#N)c2F)CC1
InChIInChI=1S/C15H20FN3/c1-15(18-2)6-8-19(9-7-15)11-13-5-3-4-12(10-17)14(13)16/h3-5,18H,6-9,11H2,1-2H3
InChIKeyUNNWNBIGTAOVJL-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.27
Rot. Bonds3

About 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile

2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile (PubChem CID 107119035) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile
PubChem CID107119035
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile
SMILESCNC1(C)CCN(Cc2cccc(C#N)c2F)CC1
InChIInChI=1S/C15H20FN3/c1-15(18-2)6-8-19(9-7-15)11-13-5-3-4-12(10-17)14(13)16/h3-5,18H,6-9,11H2,1-2H3
InChIKeyUNNWNBIGTAOVJL-UHFFFAOYSA-N
XLogP2.27
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzonitrile
CID 103886041
1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 112652864
3-[(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]-2-fluorobenzonitrile
CID 146125489
3-amino-1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324750
1-[[2-(difluoromethoxy)phenyl]methyl]-N,4-dimethylpiperidin-4-amine
CID 115303878
3-[(4-ethylazepan-1-yl)methyl]-2-fluorobenzonitrile
CID 103912239
3-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 102669335
3-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2-fluorobenzonitrile
CID 103912390
2-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 103912370
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 107114952
2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
CID 107114671
3-[[(2,2-dimethylcyclopropyl)amino]methyl]-2-fluorobenzonitrile
CID 107114531

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile (CID 107119035) is 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile is CNC1(C)CCN(Cc2cccc(C#N)c2F)CC1.
What is the InChIKey of 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is UNNWNBIGTAOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-15(18-2)6-8-19(9-7-15)11-13-5-3-4-12(10-17)14(13)16/h3-5,18H,6-9,11H2,1-2H3.
What are the key properties of 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile?
2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 107119035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).