2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine

C10H13F2N3 — CID 121184652

IUPAC2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
SMILESCc1nccnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N3/c1-8-9(14-5-4-13-8)15-6-2-10(11,12)3-7-15/h4-5H,2-3,6-7H2,1H3
InChIKeyHCNGTDFZKCGTAL-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.02
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine

2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine (PubChem CID 121184652) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
PubChem CID121184652
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
SMILESCc1nccnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N3/c1-8-9(14-5-4-13-8)15-6-2-10(11,12)3-7-15/h4-5H,2-3,6-7H2,1H3
InChIKeyHCNGTDFZKCGTAL-UHFFFAOYSA-N
XLogP2.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Modaline
CID 17860
Modaline Sulfate
CID 17859
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
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CID 45099710
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
N,N,3-Trimethylpyrazin-2-amine
CID 44327689
N,N,3,6-tetramethylpyrazin-2-amine
CID 8009163
3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-N,N-diethyl-1-propanamine
CID 29188695
3-(4-Methylpiperazin-1-yl)pyrazine-2,5-dicarbonitrile
CID 57398119
2-Methyl-3-(piperazin-1-yl)pyrazine hydrochloride
CID 71639307
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
N,N-dimethyl-N'-[5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164682790

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine (CID 121184652) is 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine is Cc1nccnc1N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The InChIKey is HCNGTDFZKCGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-8-9(14-5-4-13-8)15-6-2-10(11,12)3-7-15/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine has a molecular weight of 213.23 g/mol, XLogP of 2.02, 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)-3-methylpyrazine is sourced from PubChem (CID 121184652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).