1-azidopiperidine-2-carbaldehyde

C6H10N4O — CID 150070676

IUPAC1-azidopiperidine-2-carbaldehyde
SMILES[N-]=[N+]=NN1CCCCC1C=O
InChIInChI=1S/C6H10N4O/c7-8-9-10-4-2-1-3-6(10)5-11/h5-6H,1-4H2
InChIKeyDPEYYTVFCXONBZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.27
Rot. Bonds2

About 1-azidopiperidine-2-carbaldehyde

1-azidopiperidine-2-carbaldehyde (PubChem CID 150070676) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-azidopiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-azidopiperidine-2-carbaldehyde
PubChem CID150070676
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-azidopiperidine-2-carbaldehyde
SMILES[N-]=[N+]=NN1CCCCC1C=O
InChIInChI=1S/C6H10N4O/c7-8-9-10-4-2-1-3-6(10)5-11/h5-6H,1-4H2
InChIKeyDPEYYTVFCXONBZ-UHFFFAOYSA-N
XLogP1.27
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azidopiperidine-2-carbaldehyde?
The IUPAC name of 1-azidopiperidine-2-carbaldehyde (CID 150070676) is 1-azidopiperidine-2-carbaldehyde.
What is the SMILES notation for 1-azidopiperidine-2-carbaldehyde?
The canonical SMILES for 1-azidopiperidine-2-carbaldehyde is [N-]=[N+]=NN1CCCCC1C=O.
What is the InChIKey of 1-azidopiperidine-2-carbaldehyde?
The InChIKey is DPEYYTVFCXONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-8-9-10-4-2-1-3-6(10)5-11/h5-6H,1-4H2.
What are the key properties of 1-azidopiperidine-2-carbaldehyde?
1-azidopiperidine-2-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidopiperidine-2-carbaldehyde is sourced from PubChem (CID 150070676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).