2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine

C11H11F2N3 — CID 169266276

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine
SMILESC#Cc1cncc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H11F2N3/c1-2-9-7-14-8-10(15-9)16-5-3-11(12,13)4-6-16/h1,7-8H,3-6H2
InChIKeyMNRKHDMSWMWUCS-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.69
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine

2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine (PubChem CID 169266276) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine
PubChem CID169266276
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine
SMILESC#Cc1cncc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H11F2N3/c1-2-9-7-14-8-10(15-9)16-5-3-11(12,13)4-6-16/h1,7-8H,3-6H2
InChIKeyMNRKHDMSWMWUCS-UHFFFAOYSA-N
XLogP1.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Modaline
CID 17860
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
N,N-dimethyl-N'-[5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164682790
N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683015
2-Methyl-6-piperidin-1-ylpyrazine
CID 68348554
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
3-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 164640687
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine;hydrochloride
CID 20361695
2-(Piperazin-1-yl)-5-(trifluoromethyl)pyrazine
CID 46837492
2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrazine
CID 70812423
2-[(2S)-2,4-dimethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine
CID 70812915

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine (CID 169266276) is 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine is C#Cc1cncc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine?
The InChIKey is MNRKHDMSWMWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-2-9-7-14-8-10(15-9)16-5-3-11(12,13)4-6-16/h1,7-8H,3-6H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine?
2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine has a molecular weight of 223.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-ethynylpyrazine is sourced from PubChem (CID 169266276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).