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

C14H18FN3 — CID 63253463

IUPAC3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
SMILESCNCC1CCCCN1c1ccc(C#N)cc1F
InChIInChI=1S/C14H18FN3/c1-17-10-12-4-2-3-7-18(12)14-6-5-11(9-16)8-13(14)15/h5-6,8,12,17H,2-4,7,10H2,1H3
InChIKeySQNQDMHRKRXCFJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.28
Rot. Bonds3

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

3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile (PubChem CID 63253463) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
PubChem CID63253463
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
SMILESCNCC1CCCCN1c1ccc(C#N)cc1F
InChIInChI=1S/C14H18FN3/c1-17-10-12-4-2-3-7-18(12)14-6-5-11(9-16)8-13(14)15/h5-6,8,12,17H,2-4,7,10H2,1H3
InChIKeySQNQDMHRKRXCFJ-UHFFFAOYSA-N
XLogP2.28
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethylazepan-1-yl)-3-fluorobenzonitrile
CID 104689833
3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
CID 83056403
1-[1-(4-cyano-2-fluorophenyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71976834
4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzonitrile
CID 83704659
2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 55167783
3-bromo-4-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 82810078
1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656955
3-fluoro-4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317009
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115316994
3-fluoro-4-(2-phenylpyrrolidin-1-yl)benzonitrile
CID 133333698
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-fluorobenzonitrile
CID 78955458

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile (CID 63253463) is 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile is CNCC1CCCCN1c1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The InChIKey is SQNQDMHRKRXCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-17-10-12-4-2-3-7-18(12)14-6-5-11(9-16)8-13(14)15/h5-6,8,12,17H,2-4,7,10H2,1H3.
What are the key properties of 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile?
3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile has a molecular weight of 247.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 63253463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).