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

C12H22N4O4 — CID 118329695

IUPACtert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C12H22N4O4/c1-12(2,3)20-11(17)16-6-5-10(19-8-18-4)9(7-16)14-15-13/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyBMTNBTCVZKIDOW-NXEZZACHSA-N
MW286.33 g/mol
LogP2.30
Rot. Bonds4

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

tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate (PubChem CID 118329695) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
PubChem CID118329695
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Nametert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1N=[N+]=[N-]
InChIInChI=1S/C12H22N4O4/c1-12(2,3)20-11(17)16-6-5-10(19-8-18-4)9(7-16)14-15-13/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyBMTNBTCVZKIDOW-NXEZZACHSA-N
XLogP2.30
TPSA96.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
CID 118661700
3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326461
tert-butyl 3,4-diazidopiperidine-1-carboxylate
CID 76541415
tert-butyl (4R)-3-azido-4-hydroxypiperidine-1-carboxylate
CID 134386921
tert-butyl 3-azido-4-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-1-carboxylate
CID 174214698
tert-butyl (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268
tert-butyl (3S,4R)-4-formyl-3-(methoxymethoxy)piperidine-1-carboxylate
CID 86657808
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
tert-butyl (3S,4S)-3-azido-4-but-2-ynoxypyrrolidine-1-carboxylate
CID 59587918
[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium
CID 118326464
tert-butyl (3S,4S)-3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 134363687
tert-butyl 3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 122590806

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate (CID 118329695) is tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate is COCO[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-(methoxymethoxy)piperidine-1-carboxylate?
The InChIKey is BMTNBTCVZKIDOW-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-12(2,3)20-11(17)16-6-5-10(19-8-18-4)9(7-16)14-15-13/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate?
tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-azido-4-(methoxymethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 118329695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).