1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde

C12H17N3O — CID 65419285

IUPAC1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCc1cnc(C)c(N2CCC(C=O)CC2)n1
InChIInChI=1S/C12H17N3O/c1-9-7-13-10(2)12(14-9)15-5-3-11(8-16)4-6-15/h7-8,11H,3-6H2,1-2H3
InChIKeyPIGXPLLBTAQCFJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.51
Rot. Bonds2

About 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde

1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde (PubChem CID 65419285) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
PubChem CID65419285
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCc1cnc(C)c(N2CCC(C=O)CC2)n1
InChIInChI=1S/C12H17N3O/c1-9-7-13-10(2)12(14-9)15-5-3-11(8-16)4-6-15/h7-8,11H,3-6H2,1-2H3
InChIKeyPIGXPLLBTAQCFJ-UHFFFAOYSA-N
XLogP1.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 114477235
3-[4-(1-chloroethyl)piperidin-1-yl]-2,5-dimethylpyrazine
CID 106838567
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
CID 91648183
1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 114203358
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663790
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
2,5-dimethyl-3-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine
CID 70724831
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 154799872
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde (CID 65419285) is 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde is Cc1cnc(C)c(N2CCC(C=O)CC2)n1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
The InChIKey is PIGXPLLBTAQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-13-10(2)12(14-9)15-5-3-11(8-16)4-6-15/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde has a molecular weight of 219.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 65419285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).