4-azido-1-(2-methylbutan-2-yl)piperidine

C10H20N4 — CID 141258940

IUPAC4-azido-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C10H20N4/c1-4-10(2,3)14-7-5-9(6-8-14)12-13-11/h9H,4-8H2,1-3H3
InChIKeyCLASJYVEFDWKCJ-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.95
Rot. Bonds3

About 4-azido-1-(2-methylbutan-2-yl)piperidine

4-azido-1-(2-methylbutan-2-yl)piperidine (PubChem CID 141258940) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-azido-1-(2-methylbutan-2-yl)piperidine.

Molecular Properties

Compound Name4-azido-1-(2-methylbutan-2-yl)piperidine
PubChem CID141258940
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-azido-1-(2-methylbutan-2-yl)piperidine
SMILESCCC(C)(C)N1CCC(N=[N+]=[N-])CC1
InChIInChI=1S/C10H20N4/c1-4-10(2,3)14-7-5-9(6-8-14)12-13-11/h9H,4-8H2,1-3H3
InChIKeyCLASJYVEFDWKCJ-UHFFFAOYSA-N
XLogP2.95
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-azido-1-(2-methylbutan-2-yl)piperidine?
The IUPAC name of 4-azido-1-(2-methylbutan-2-yl)piperidine (CID 141258940) is 4-azido-1-(2-methylbutan-2-yl)piperidine.
What is the SMILES notation for 4-azido-1-(2-methylbutan-2-yl)piperidine?
The canonical SMILES for 4-azido-1-(2-methylbutan-2-yl)piperidine is CCC(C)(C)N1CCC(N=[N+]=[N-])CC1.
What is the InChIKey of 4-azido-1-(2-methylbutan-2-yl)piperidine?
The InChIKey is CLASJYVEFDWKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-10(2,3)14-7-5-9(6-8-14)12-13-11/h9H,4-8H2,1-3H3.
What are the key properties of 4-azido-1-(2-methylbutan-2-yl)piperidine?
4-azido-1-(2-methylbutan-2-yl)piperidine has a molecular weight of 196.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(2-methylbutan-2-yl)piperidine is sourced from PubChem (CID 141258940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).