4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile

C15H20FN3 — CID 79716463

IUPAC4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1cc(C#N)ccc1F)CC1CCNCC1
InChIInChI=1S/C15H20FN3/c1-19(10-12-4-6-18-7-5-12)11-14-8-13(9-17)2-3-15(14)16/h2-3,8,12,18H,4-7,10-11H2,1H3
InChIKeyUKXKQMWXUTWFFC-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.13
Rot. Bonds4

About 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile

4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile (PubChem CID 79716463) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
PubChem CID79716463
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
SMILESCN(Cc1cc(C#N)ccc1F)CC1CCNCC1
InChIInChI=1S/C15H20FN3/c1-19(10-12-4-6-18-7-5-12)11-14-8-13(9-17)2-3-15(14)16/h2-3,8,12,18H,4-7,10-11H2,1H3
InChIKeyUKXKQMWXUTWFFC-UHFFFAOYSA-N
XLogP2.13
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
4-[[cyclobutylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62860429
5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716523
3-fluoro-4-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79719509
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
3-[[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 100684988
3-[[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 100684977
2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716455
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 63682953
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 60703913

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile (CID 79716463) is 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile is CN(Cc1cc(C#N)ccc1F)CC1CCNCC1.
What is the InChIKey of 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
The InChIKey is UKXKQMWXUTWFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-19(10-12-4-6-18-7-5-12)11-14-8-13(9-17)2-3-15(14)16/h2-3,8,12,18H,4-7,10-11H2,1H3.
What are the key properties of 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile?
4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 79716463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).