2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile

C14H15FN2 — CID 86730532

IUPAC2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile
SMILESN#Cc1cc(/C=C/C2CCNCC2)ccc1F
InChIInChI=1S/C14H15FN2/c15-14-4-3-12(9-13(14)10-16)2-1-11-5-7-17-8-6-11/h1-4,9,11,17H,5-8H2/b2-1+
InChIKeySWNXNIGCEMLRSX-OWOJBTEDSA-N
MW230.29 g/mol
LogP2.71
Rot. Bonds2

About 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile

2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile (PubChem CID 86730532) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile
PubChem CID86730532
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile
SMILESN#Cc1cc(/C=C/C2CCNCC2)ccc1F
InChIInChI=1S/C14H15FN2/c15-14-4-3-12(9-13(14)10-16)2-1-11-5-7-17-8-6-11/h1-4,9,11,17H,5-8H2/b2-1+
InChIKeySWNXNIGCEMLRSX-OWOJBTEDSA-N
XLogP2.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile (CID 86730532) is 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile is N#Cc1cc(/C=C/C2CCNCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile?
The InChIKey is SWNXNIGCEMLRSX-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H15FN2/c15-14-4-3-12(9-13(14)10-16)2-1-11-5-7-17-8-6-11/h1-4,9,11,17H,5-8H2/b2-1+.
What are the key properties of 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile?
2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(E)-2-piperidin-4-ylethenyl]benzonitrile is sourced from PubChem (CID 86730532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).