4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile

C15H23F3N2 — CID 63362313

IUPAC4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H23F3N2/c1-2-11-5-6-12(9-19)14(8-11)20-7-3-4-13(10-20)15(16,17)18/h11-14H,2-8,10H2,1H3
InChIKeyDCHSFWOCXARPGE-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.98
Rot. Bonds2

About 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile

4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 63362313) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
PubChem CID63362313
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H23F3N2/c1-2-11-5-6-12(9-19)14(8-11)20-7-3-4-13(10-20)15(16,17)18/h11-14H,2-8,10H2,1H3
InChIKeyDCHSFWOCXARPGE-UHFFFAOYSA-N
XLogP3.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile (CID 63362313) is 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is DCHSFWOCXARPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-2-11-5-6-12(9-19)14(8-11)20-7-3-4-13(10-20)15(16,17)18/h11-14H,2-8,10H2,1H3.
What are the key properties of 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile has a molecular weight of 288.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 63362313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).