tert-butyl 3,4-diazidopiperidine-1-carboxylate

C10H17N7O2 — CID 76541415

IUPACtert-butyl 3,4-diazidopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(N=[N+]=[N-])C1
InChIInChI=1S/C10H17N7O2/c1-10(2,3)19-9(18)17-5-4-7(13-15-11)8(6-17)14-16-12/h7-8H,4-6H2,1-3H3
InChIKeyUWSARMGGOQMUQF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl 3,4-diazidopiperidine-1-carboxylate

tert-butyl 3,4-diazidopiperidine-1-carboxylate (PubChem CID 76541415) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is tert-butyl 3,4-diazidopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,4-diazidopiperidine-1-carboxylate
PubChem CID76541415
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Nametert-butyl 3,4-diazidopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(N=[N+]=[N-])C1
InChIInChI=1S/C10H17N7O2/c1-10(2,3)19-9(18)17-5-4-7(13-15-11)8(6-17)14-16-12/h7-8H,4-6H2,1-3H3
InChIKeyUWSARMGGOQMUQF-UHFFFAOYSA-N
XLogP2.98
TPSA127.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

tert-butyl (4R)-3-azido-4-hydroxypiperidine-1-carboxylate
CID 134386921
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
CID 118661700
tert-butyl (3R,4S)-3-azido-4-(benzhydrylideneamino)piperidine-1-carboxylate
CID 131730338
tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
CID 118329695
tert-butyl 3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 122590806
tert-butyl (3S,4S)-3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 134363687
tert-butyl (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268
tert-butyl 3-azidoazepane-1-carboxylate
CID 151358717
tert-butyl (1S,5S,6R)-5-azido-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 155797753
ditert-butyl (2S,3R)-3-azidopyrrolidine-1,2-dicarboxylate
CID 90135647
tert-butyl (3S,4R)-3-azido-4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidine-1-carboxylate
CID 86647412

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-diazidopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,4-diazidopiperidine-1-carboxylate (CID 76541415) is tert-butyl 3,4-diazidopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,4-diazidopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,4-diazidopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C(N=[N+]=[N-])C1.
What is the InChIKey of tert-butyl 3,4-diazidopiperidine-1-carboxylate?
The InChIKey is UWSARMGGOQMUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2/c1-10(2,3)19-9(18)17-5-4-7(13-15-11)8(6-17)14-16-12/h7-8H,4-6H2,1-3H3.
What are the key properties of tert-butyl 3,4-diazidopiperidine-1-carboxylate?
tert-butyl 3,4-diazidopiperidine-1-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4-diazidopiperidine-1-carboxylate is sourced from PubChem (CID 76541415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).