5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde

C11H15N3O2 — CID 134506193

IUPAC5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde
SMILESCOC1CCN(c2cnc(C=O)cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-10-2-4-14(5-3-10)11-7-12-9(8-15)6-13-11/h6-8,10H,2-5H2,1H3
InChIKeyULAXDDSFCGFUMZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.90
Rot. Bonds3

About 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde

5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde (PubChem CID 134506193) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde
PubChem CID134506193
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde
SMILESCOC1CCN(c2cnc(C=O)cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-10-2-4-14(5-3-10)11-7-12-9(8-15)6-13-11/h6-8,10H,2-5H2,1H3
InChIKeyULAXDDSFCGFUMZ-UHFFFAOYSA-N
XLogP0.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Dimethylamino)pyrazine-2-carbaldehyde
CID 45083711
Ethyl 2,2-difluoro-3-[[1-(5-formylpyrazin-2-yl)piperidin-4-yl]amino]propanoate
CID 153362142
ethyl 2-[[(3S,4R)-3-fluoro-1-(5-formylpyrazin-2-yl)piperidin-4-yl]-methylamino]acetate
CID 156150734
Ethyl 4-fluoro-1-(5-formylpyrazin-2-yl)piperidine-4-carboxylate
CID 156150748
2-[[(3S,4R)-3-fluoro-1-(5-formylpyrazin-2-yl)piperidin-4-yl]-methylamino]acetic acid
CID 156634126
3-Methyl-2-(3-piperidin-1-ylpropoxy)imidazole-4-carbaldehyde
CID 11608509
Methyl 5-(piperidin-1-yl)pyrazine-2-carboxylate
CID 45790075
5-(4-Methoxy-1-piperidinyl)-2-pyrazinecarboxylic acid
CID 64272532
Methyl 6-piperidin-1-yl-pyrazine-2-carboxylate
CID 65815155
1-(5-Methylpyrazin-2-yl)piperidin-4-one
CID 68289948
4-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-carbaldehyde
CID 86082560
3-Chloro-5-(2-methylpiperidin-1-yl)pyrazine-2-carbaldehyde
CID 86648988

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde (CID 134506193) is 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde is COC1CCN(c2cnc(C=O)cn2)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde?
The InChIKey is ULAXDDSFCGFUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-10-2-4-14(5-3-10)11-7-12-9(8-15)6-13-11/h6-8,10H,2-5H2,1H3.
What are the key properties of 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde?
5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 134506193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).