1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde

C12H17N3O — CID 114477235

IUPAC1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCc1ncc(N2CCC(C=O)CC2)nc1C
InChIInChI=1S/C12H17N3O/c1-9-10(2)14-12(7-13-9)15-5-3-11(8-16)4-6-15/h7-8,11H,3-6H2,1-2H3
InChIKeyHNNXGGFCVFZRPC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.51
Rot. Bonds2

About 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde

1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde (PubChem CID 114477235) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
PubChem CID114477235
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCc1ncc(N2CCC(C=O)CC2)nc1C
InChIInChI=1S/C12H17N3O/c1-9-10(2)14-12(7-13-9)15-5-3-11(8-16)4-6-15/h7-8,11H,3-6H2,1-2H3
InChIKeyHNNXGGFCVFZRPC-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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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde (CID 114477235) is 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde is Cc1ncc(N2CCC(C=O)CC2)nc1C.
What is the InChIKey of 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
The InChIKey is HNNXGGFCVFZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-10(2)14-12(7-13-9)15-5-3-11(8-16)4-6-15/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde?
1-(5,6-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-(5,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 114477235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).