tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate

C11H20N4O3 — CID 118661700

IUPACtert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
SMILESCO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(16)15-6-5-9(17-4)8(7-15)13-14-12/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyAGGYPAXLWXCQOV-RKDXNWHRSA-N
MW256.31 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate

tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate (PubChem CID 118661700) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
PubChem CID118661700
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nametert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
SMILESCO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(16)15-6-5-9(17-4)8(7-15)13-14-12/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyAGGYPAXLWXCQOV-RKDXNWHRSA-N
XLogP2.32
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.32
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 (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268
tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
CID 118329695
tert-butyl 3,4-diazidopiperidine-1-carboxylate
CID 76541415
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 3-methoxy-4-nitrosopiperidine-1-carboxylate
CID 143402030
tert-butyl 3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 122590806
tert-butyl (3S,4S)-3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 134363687
tert-butyl 3-azido-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
CID 174214698
tert-butyl 3-azido-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 73081086
tert-butyl (3R,4S)-3-azido-4-(benzhydrylideneamino)piperidine-1-carboxylate
CID 131730338
tert-butyl 3-azidoazepane-1-carboxylate
CID 151358717

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate (CID 118661700) is tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate is CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N=[N+]=[N-].
What is the InChIKey of tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate?
The InChIKey is AGGYPAXLWXCQOV-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,3)18-10(16)15-6-5-9(17-4)8(7-15)13-14-12/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate?
tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 118661700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).