2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile

C15H17F3N2 — CID 11601609

IUPAC2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile
SMILESCCN1CCC(c2cccc(C(F)(F)F)c2C#N)CC1
InChIInChI=1S/C15H17F3N2/c1-2-20-8-6-11(7-9-20)12-4-3-5-14(13(12)10-19)15(16,17)18/h3-5,11H,2,6-9H2,1H3
InChIKeyGSVIHIOSYGPXDM-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.78
Rot. Bonds2

About 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile

2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile (PubChem CID 11601609) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile
PubChem CID11601609
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile
SMILESCCN1CCC(c2cccc(C(F)(F)F)c2C#N)CC1
InChIInChI=1S/C15H17F3N2/c1-2-20-8-6-11(7-9-20)12-4-3-5-14(13(12)10-19)15(16,17)18/h3-5,11H,2,6-9H2,1H3
InChIKeyGSVIHIOSYGPXDM-UHFFFAOYSA-N
XLogP3.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile (CID 11601609) is 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile is CCN1CCC(c2cccc(C(F)(F)F)c2C#N)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile?
The InChIKey is GSVIHIOSYGPXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-2-20-8-6-11(7-9-20)12-4-3-5-14(13(12)10-19)15(16,17)18/h3-5,11H,2,6-9H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile?
2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile has a molecular weight of 282.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 11601609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).