2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

C20H19FN2 — CID 974306

IUPAC2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(N2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C20H19FN2/c21-20-7-3-2-6-19(20)17(15-22)14-16-8-10-18(11-9-16)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2
InChIKeyVZEKIOBQJRGALV-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.88
Rot. Bonds3

About 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile (PubChem CID 974306) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
PubChem CID974306
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
SMILESN#CC(=Cc1ccc(N2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C20H19FN2/c21-20-7-3-2-6-19(20)17(15-22)14-16-8-10-18(11-9-16)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2
InChIKeyVZEKIOBQJRGALV-UHFFFAOYSA-N
XLogP4.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The IUPAC name of 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile (CID 974306) is 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The canonical SMILES for 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile is N#CC(=Cc1ccc(N2CCCCC2)cc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The InChIKey is VZEKIOBQJRGALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c21-20-7-3-2-6-19(20)17(15-22)14-16-8-10-18(11-9-16)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2.
What are the key properties of 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile has a molecular weight of 306.38 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 974306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).