4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile

C21H21FN2 — CID 134513267

IUPAC4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
SMILESC=C(c1ccc(C)cc1)N1CCC(F)(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C21H21FN2/c1-16-3-7-19(8-4-16)17(2)24-13-11-21(22,12-14-24)20-9-5-18(15-23)6-10-20/h3-10H,2,11-14H2,1H3
InChIKeyYZCNQNHGJCLTCA-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.80
Rot. Bonds3

About 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile

4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile (PubChem CID 134513267) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
PubChem CID134513267
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
SMILESC=C(c1ccc(C)cc1)N1CCC(F)(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C21H21FN2/c1-16-3-7-19(8-4-16)17(2)24-13-11-21(22,12-14-24)20-9-5-18(15-23)6-10-20/h3-10H,2,11-14H2,1H3
InChIKeyYZCNQNHGJCLTCA-UHFFFAOYSA-N
XLogP4.80
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile (CID 134513267) is 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile is C=C(c1ccc(C)cc1)N1CCC(F)(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The InChIKey is YZCNQNHGJCLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2/c1-16-3-7-19(8-4-16)17(2)24-13-11-21(22,12-14-24)20-9-5-18(15-23)6-10-20/h3-10H,2,11-14H2,1H3.
What are the key properties of 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile has a molecular weight of 320.41 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 134513267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).