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

C15H20FN3 — CID 107902822

IUPAC4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
SMILESCN1CCCC(N(C)Cc2cc(F)ccc2C#N)C1
InChIInChI=1S/C15H20FN3/c1-18-7-3-4-15(11-18)19(2)10-13-8-14(16)6-5-12(13)9-17/h5-6,8,15H,3-4,7,10-11H2,1-2H3
InChIKeyVKFAKVAGRNLNOJ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.22
Rot. Bonds3

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

4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile (PubChem CID 107902822) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
PubChem CID107902822
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
SMILESCN1CCCC(N(C)Cc2cc(F)ccc2C#N)C1
InChIInChI=1S/C15H20FN3/c1-18-7-3-4-15(11-18)19(2)10-13-8-14(16)6-5-12(13)9-17/h5-6,8,15H,3-4,7,10-11H2,1-2H3
InChIKeyVKFAKVAGRNLNOJ-UHFFFAOYSA-N
XLogP2.22
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 104982822
2-[(dimethylamino)methyl]-4-fluorobenzonitrile
CID 59429384
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260
4-fluoro-2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]benzonitrile
CID 107903932
N-[(3-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 112646134
N-[(3-bromo-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79705621
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 62547662
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile (CID 107902822) is 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile is CN1CCCC(N(C)Cc2cc(F)ccc2C#N)C1.
What is the InChIKey of 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
The InChIKey is VKFAKVAGRNLNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-18-7-3-4-15(11-18)19(2)10-13-8-14(16)6-5-12(13)9-17/h5-6,8,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile?
4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile has a molecular weight of 261.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 107902822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).