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

C19H21FN4 — CID 155976045

IUPAC3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
SMILESCN(c1ccccn1)C1CCN(Cc2ccc(C#N)cc2F)CC1
InChIInChI=1S/C19H21FN4/c1-23(19-4-2-3-9-22-19)17-7-10-24(11-8-17)14-16-6-5-15(13-21)12-18(16)20/h2-6,9,12,17H,7-8,10-11,14H2,1H3
InChIKeySEPJGFDOFNARQD-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.19
Rot. Bonds4

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

3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile (PubChem CID 155976045) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
PubChem CID155976045
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
SMILESCN(c1ccccn1)C1CCN(Cc2ccc(C#N)cc2F)CC1
InChIInChI=1S/C19H21FN4/c1-23(19-4-2-3-9-22-19)17-7-10-24(11-8-17)14-16-6-5-15(13-21)12-18(16)20/h2-6,9,12,17H,7-8,10-11,14H2,1H3
InChIKeySEPJGFDOFNARQD-UHFFFAOYSA-N
XLogP3.19
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylmethyl)-3-fluorobenzonitrile
CID 24711476
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976215
5-chloro-2-[[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 167927928
4-[[4-(cyanomethyl)piperazin-1-yl]methyl]-3-fluorobenzonitrile
CID 63336896
N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975649
4-[(4-amino-3-methylpiperidin-1-yl)methyl]-3-fluorobenzonitrile
CID 79867580
2-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 56813394
N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975492
N-cyclopropyl-N-methylpyridin-2-amine;hydrochloride
CID 69197423
4-[(4-acetylpiperazin-1-yl)methyl]-3-fluorobenzonitrile
CID 24698831
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-3-fluorobenzonitrile
CID 79736873
N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 163357727

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile (CID 155976045) is 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile is CN(c1ccccn1)C1CCN(Cc2ccc(C#N)cc2F)CC1.
What is the InChIKey of 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is SEPJGFDOFNARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-23(19-4-2-3-9-22-19)17-7-10-24(11-8-17)14-16-6-5-15(13-21)12-18(16)20/h2-6,9,12,17H,7-8,10-11,14H2,1H3.
What are the key properties of 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile?
3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 324.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 155976045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).