4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile

C15H19FN2 — CID 62732718

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile
SMILESCCC1(C)CCN(c2ccc(C#N)cc2F)CC1
InChIInChI=1S/C15H19FN2/c1-3-15(2)6-8-18(9-7-15)14-5-4-12(11-17)10-13(14)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyBSCFSTFZPQPKAA-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.71
Rot. Bonds2

About 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile

4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile (PubChem CID 62732718) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile
PubChem CID62732718
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile
SMILESCCC1(C)CCN(c2ccc(C#N)cc2F)CC1
InChIInChI=1S/C15H19FN2/c1-3-15(2)6-8-18(9-7-15)14-5-4-12(11-17)10-13(14)16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyBSCFSTFZPQPKAA-UHFFFAOYSA-N
XLogP3.71
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyano-2-fluorophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 55164809
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
CID 78941130
4-(3,3-dimethylpiperazin-1-yl)-3-fluorobenzonitrile
CID 82993708
4-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 170313554
3-fluoro-4-(4-oxopiperidin-1-yl)benzonitrile
CID 43656981
2-(4-ethyl-4-methylpiperidin-1-yl)-5-nitrobenzonitrile
CID 78916249
4-(4-butanoylpiperazin-1-yl)-3-fluorobenzonitrile
CID 6486813
ethyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate
CID 6486814
3-fluoro-4-[4-[(2R)-1-hydroxypropan-2-yl]-1,4-diazepan-1-yl]benzonitrile
CID 124887702
4-(3-ethyl-4-methylpiperazin-1-yl)-3-fluorobenzonitrile
CID 55215644
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile (CID 62732718) is 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile is CCC1(C)CCN(c2ccc(C#N)cc2F)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile?
The InChIKey is BSCFSTFZPQPKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-15(2)6-8-18(9-7-15)14-5-4-12(11-17)10-13(14)16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile?
4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile has a molecular weight of 246.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 62732718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).