2-fluoro-5-piperidin-4-ylbenzonitrile

C12H13FN2 — CID 16679511

IUPAC2-fluoro-5-piperidin-4-ylbenzonitrile
SMILESN#Cc1cc(C2CCNCC2)ccc1F
InChIInChI=1S/C12H13FN2/c13-12-2-1-10(7-11(12)8-14)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2
InChIKeyJGIWZMFYBQKJGY-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.16
Rot. Bonds1

About 2-fluoro-5-piperidin-4-ylbenzonitrile

2-fluoro-5-piperidin-4-ylbenzonitrile (PubChem CID 16679511) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-fluoro-5-piperidin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-5-piperidin-4-ylbenzonitrile
PubChem CID16679511
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-fluoro-5-piperidin-4-ylbenzonitrile
SMILESN#Cc1cc(C2CCNCC2)ccc1F
InChIInChI=1S/C12H13FN2/c13-12-2-1-10(7-11(12)8-14)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2
InChIKeyJGIWZMFYBQKJGY-UHFFFAOYSA-N
XLogP2.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-piperidin-4-ylbenzonitrile?
The IUPAC name of 2-fluoro-5-piperidin-4-ylbenzonitrile (CID 16679511) is 2-fluoro-5-piperidin-4-ylbenzonitrile.
What is the SMILES notation for 2-fluoro-5-piperidin-4-ylbenzonitrile?
The canonical SMILES for 2-fluoro-5-piperidin-4-ylbenzonitrile is N#Cc1cc(C2CCNCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-piperidin-4-ylbenzonitrile?
The InChIKey is JGIWZMFYBQKJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-12-2-1-10(7-11(12)8-14)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2.
What are the key properties of 2-fluoro-5-piperidin-4-ylbenzonitrile?
2-fluoro-5-piperidin-4-ylbenzonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-piperidin-4-ylbenzonitrile is sourced from PubChem (CID 16679511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).