2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde

C12H16N3O2+ — CID 6946907

IUPAC2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde
SMILESNc1[nH+]c(N2CCCCC2)c(C=O)cc1C=O
InChIInChI=1S/C12H15N3O2/c13-11-9(7-16)6-10(8-17)12(14-11)15-4-2-1-3-5-15/h6-8H,1-5H2,(H2,13,14)/p+1
InChIKeyGHIPSQDBTRMEHF-UHFFFAOYSA-O
MW234.28 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde

2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde (PubChem CID 6946907) has the molecular formula C12H16N3O2+ and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde.

Molecular Properties

Compound Name2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde
PubChem CID6946907
Molecular FormulaC12H16N3O2+
Molecular Weight234.28 g/mol
Exact Mass234.12
IUPAC Name2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde
SMILESNc1[nH+]c(N2CCCCC2)c(C=O)cc1C=O
InChIInChI=1S/C12H15N3O2/c13-11-9(7-16)6-10(8-17)12(14-11)15-4-2-1-3-5-15/h6-8H,1-5H2,(H2,13,14)/p+1
InChIKeyGHIPSQDBTRMEHF-UHFFFAOYSA-O
XLogP0.70
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
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 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde?
The IUPAC name of 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde (CID 6946907) is 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde.
What is the SMILES notation for 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde?
The canonical SMILES for 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde is Nc1[nH+]c(N2CCCCC2)c(C=O)cc1C=O.
What is the InChIKey of 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde?
The InChIKey is GHIPSQDBTRMEHF-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N3O2/c13-11-9(7-16)6-10(8-17)12(14-11)15-4-2-1-3-5-15/h6-8H,1-5H2,(H2,13,14)/p+1.
What are the key properties of 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde?
2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde has a molecular weight of 234.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde is sourced from PubChem (CID 6946907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).