4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile

C19H19FN2O — CID 171037846

IUPAC4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile
SMILESCOC1CCN(c2cc(-c3ccccc3F)ccc2C#N)CC1
InChIInChI=1S/C19H19FN2O/c1-23-16-8-10-22(11-9-16)19-12-14(6-7-15(19)13-21)17-4-2-3-5-18(17)20/h2-7,12,16H,8-11H2,1H3
InChIKeyCBJGHBXOXSEKIJ-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.98
Rot. Bonds3

About 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile

4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile (PubChem CID 171037846) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile
PubChem CID171037846
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile
SMILESCOC1CCN(c2cc(-c3ccccc3F)ccc2C#N)CC1
InChIInChI=1S/C19H19FN2O/c1-23-16-8-10-22(11-9-16)19-12-14(6-7-15(19)13-21)17-4-2-3-5-18(17)20/h2-7,12,16H,8-11H2,1H3
InChIKeyCBJGHBXOXSEKIJ-UHFFFAOYSA-N
XLogP3.98
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-cyano-5-(2-fluorophenyl)phenyl]piperidine-4-carboxylate
CID 171037847
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
2-amino-3-(4-methoxypiperidin-1-yl)benzonitrile
CID 113444673
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
2-chloro-4-(2-fluorophenyl)benzonitrile
CID 46314397
2-amino-4-(2-fluorophenyl)benzonitrile
CID 46314173
4-(2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684093
4-(4-methoxypiperidin-1-yl)-3-methylbenzonitrile
CID 54934420
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
2-amino-5-(4-methoxypiperidin-1-yl)benzonitrile
CID 113323838
3-amino-4-(4-methoxypiperidin-1-yl)benzonitrile
CID 43518180
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile?
The IUPAC name of 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile (CID 171037846) is 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile is COC1CCN(c2cc(-c3ccccc3F)ccc2C#N)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile?
The InChIKey is CBJGHBXOXSEKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-23-16-8-10-22(11-9-16)19-12-14(6-7-15(19)13-21)17-4-2-3-5-18(17)20/h2-7,12,16H,8-11H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile?
4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile has a molecular weight of 310.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(4-methoxypiperidin-1-yl)benzonitrile is sourced from PubChem (CID 171037846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).