4-(3-fluoropiperidin-1-yl)benzonitrile

C12H13FN2 — CID 105456209

IUPAC4-(3-fluoropiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC(F)C2)cc1
InChIInChI=1S/C12H13FN2/c13-11-2-1-7-15(9-11)12-5-3-10(8-14)4-6-12/h3-6,11H,1-2,7,9H2
InChIKeyOOVDMSZJOJQPOO-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.50
Rot. Bonds1

About 4-(3-fluoropiperidin-1-yl)benzonitrile

4-(3-fluoropiperidin-1-yl)benzonitrile (PubChem CID 105456209) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-fluoropiperidin-1-yl)benzonitrile
PubChem CID105456209
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name4-(3-fluoropiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC(F)C2)cc1
InChIInChI=1S/C12H13FN2/c13-11-2-1-7-15(9-11)12-5-3-10(8-14)4-6-12/h3-6,11H,1-2,7,9H2
InChIKeyOOVDMSZJOJQPOO-UHFFFAOYSA-N
XLogP2.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-1-yl)benzonitrile?
The IUPAC name of 4-(3-fluoropiperidin-1-yl)benzonitrile (CID 105456209) is 4-(3-fluoropiperidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-fluoropiperidin-1-yl)benzonitrile?
The canonical SMILES for 4-(3-fluoropiperidin-1-yl)benzonitrile is N#Cc1ccc(N2CCCC(F)C2)cc1.
What is the InChIKey of 4-(3-fluoropiperidin-1-yl)benzonitrile?
The InChIKey is OOVDMSZJOJQPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-11-2-1-7-15(9-11)12-5-3-10(8-14)4-6-12/h3-6,11H,1-2,7,9H2.
What are the key properties of 4-(3-fluoropiperidin-1-yl)benzonitrile?
4-(3-fluoropiperidin-1-yl)benzonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-1-yl)benzonitrile is sourced from PubChem (CID 105456209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).