2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile

C14H18FN3 — CID 83016022

IUPAC2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile
SMILESCC1CCCC(C)N1Nc1ccc(F)cc1C#N
InChIInChI=1S/C14H18FN3/c1-10-4-3-5-11(2)18(10)17-14-7-6-13(15)8-12(14)9-16/h6-8,10-11,17H,3-5H2,1-2H3
InChIKeyZZLHJIQTYZQIQF-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.29
Rot. Bonds2

About 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile

2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile (PubChem CID 83016022) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile
PubChem CID83016022
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile
SMILESCC1CCCC(C)N1Nc1ccc(F)cc1C#N
InChIInChI=1S/C14H18FN3/c1-10-4-3-5-11(2)18(10)17-14-7-6-13(15)8-12(14)9-16/h6-8,10-11,17H,3-5H2,1-2H3
InChIKeyZZLHJIQTYZQIQF-UHFFFAOYSA-N
XLogP3.29
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile (CID 83016022) is 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile is CC1CCCC(C)N1Nc1ccc(F)cc1C#N.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile?
The InChIKey is ZZLHJIQTYZQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10-4-3-5-11(2)18(10)17-14-7-6-13(15)8-12(14)9-16/h6-8,10-11,17H,3-5H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile?
2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile has a molecular weight of 247.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 83016022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).