1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile

C13H15F3N4O — CID 168974864

IUPAC1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cncc(COCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)9-21-8-11-6-18-7-12(19-11)20-3-1-10(5-17)2-4-20/h6-7,10H,1-4,8-9H2
InChIKeyMFCKSJDARJUXDF-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.30
Rot. Bonds4

About 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile

1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 168974864) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID168974864
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cncc(COCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)9-21-8-11-6-18-7-12(19-11)20-3-1-10(5-17)2-4-20/h6-7,10H,1-4,8-9H2
InChIKeyMFCKSJDARJUXDF-UHFFFAOYSA-N
XLogP2.30
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile (CID 168974864) is 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile is N#CC1CCN(c2cncc(COCC(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is MFCKSJDARJUXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)9-21-8-11-6-18-7-12(19-11)20-3-1-10(5-17)2-4-20/h6-7,10H,1-4,8-9H2.
What are the key properties of 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile?
1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 300.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,2,2-trifluoroethoxymethyl)pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 168974864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).