3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile

C15H19FN2 — CID 83056403

IUPAC3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
SMILESCCCC1CCCCN1c1ccc(C#N)cc1F
InChIInChI=1S/C15H19FN2/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-17)10-14(15)16/h7-8,10,13H,2-6,9H2,1H3
InChIKeyAPAXPGWUBHCGOZ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.86
Rot. Bonds3

About 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile

3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile (PubChem CID 83056403) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
PubChem CID83056403
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
SMILESCCCC1CCCCN1c1ccc(C#N)cc1F
InChIInChI=1S/C15H19FN2/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-17)10-14(15)16/h7-8,10,13H,2-6,9H2,1H3
InChIKeyAPAXPGWUBHCGOZ-UHFFFAOYSA-N
XLogP3.86
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile?
The IUPAC name of 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile (CID 83056403) is 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile is CCCC1CCCCN1c1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile?
The InChIKey is APAXPGWUBHCGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-2-5-13-6-3-4-9-18(13)15-8-7-12(11-17)10-14(15)16/h7-8,10,13H,2-6,9H2,1H3.
What are the key properties of 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile?
3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 83056403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).