3-azido-5-(methoxymethyl)piperidine

C7H14N4O — CID 146529272

IUPAC3-azido-5-(methoxymethyl)piperidine
SMILESCOCC1CNCC(N=[N+]=[N-])C1
InChIInChI=1S/C7H14N4O/c1-12-5-6-2-7(10-11-8)4-9-3-6/h6-7,9H,2-5H2,1H3
InChIKeyLANZQEXGCCPPTH-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.92
Rot. Bonds3

About 3-azido-5-(methoxymethyl)piperidine

3-azido-5-(methoxymethyl)piperidine (PubChem CID 146529272) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-azido-5-(methoxymethyl)piperidine.

Molecular Properties

Compound Name3-azido-5-(methoxymethyl)piperidine
PubChem CID146529272
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name3-azido-5-(methoxymethyl)piperidine
SMILESCOCC1CNCC(N=[N+]=[N-])C1
InChIInChI=1S/C7H14N4O/c1-12-5-6-2-7(10-11-8)4-9-3-6/h6-7,9H,2-5H2,1H3
InChIKeyLANZQEXGCCPPTH-UHFFFAOYSA-N
XLogP0.92
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 3-azido-5-(methoxymethyl)piperidine?
The IUPAC name of 3-azido-5-(methoxymethyl)piperidine (CID 146529272) is 3-azido-5-(methoxymethyl)piperidine.
What is the SMILES notation for 3-azido-5-(methoxymethyl)piperidine?
The canonical SMILES for 3-azido-5-(methoxymethyl)piperidine is COCC1CNCC(N=[N+]=[N-])C1.
What is the InChIKey of 3-azido-5-(methoxymethyl)piperidine?
The InChIKey is LANZQEXGCCPPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-12-5-6-2-7(10-11-8)4-9-3-6/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-azido-5-(methoxymethyl)piperidine?
3-azido-5-(methoxymethyl)piperidine has a molecular weight of 170.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-(methoxymethyl)piperidine is sourced from PubChem (CID 146529272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).