4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile

C20H21FN2 — CID 10686257

IUPAC4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile
SMILESCc1cc(-c2ccc(F)cc2)cc(N2CCC(C)CC2)c1C#N
InChIInChI=1S/C20H21FN2/c1-14-7-9-23(10-8-14)20-12-17(11-15(2)19(20)13-22)16-3-5-18(21)6-4-16/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyXPVGUKGTHUUTRO-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.91
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile

4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile (PubChem CID 10686257) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile
PubChem CID10686257
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile
SMILESCc1cc(-c2ccc(F)cc2)cc(N2CCC(C)CC2)c1C#N
InChIInChI=1S/C20H21FN2/c1-14-7-9-23(10-8-14)20-12-17(11-15(2)19(20)13-22)16-3-5-18(21)6-4-16/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyXPVGUKGTHUUTRO-UHFFFAOYSA-N
XLogP4.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fddnp F-18
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Cianopramine
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1-(2,5-Dimethylphenyl)-4-(3-phenylpropyl)piperazine
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CID 135144497
1-(Cyclohexylmethyl)-4-(2,3-dimethylphenyl)piperazine
CID 782926
Propanedinitrile, 2-((4-(butyl(2-phenylethyl)amino)-2-methylphenyl)methylene)-
CID 44148995
2-(3-Fluorophenyl)-3-[4-(1-piperidinyl)phenyl]acrylonitrile
CID 2227168
1-[2-(3,4-Dimethylphenyl)phenyl]piperazine
CID 60195993
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CID 60195994

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile (CID 10686257) is 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile is Cc1cc(-c2ccc(F)cc2)cc(N2CCC(C)CC2)c1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile?
The InChIKey is XPVGUKGTHUUTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c1-14-7-9-23(10-8-14)20-12-17(11-15(2)19(20)13-22)16-3-5-18(21)6-4-16/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile?
4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile has a molecular weight of 308.40 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)benzonitrile is sourced from PubChem (CID 10686257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).