tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate

C10H18N4O3 — CID 10657786

IUPACtert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])[C@@H](O)C1
InChIInChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)14-5-4-7(12-13-11)8(15)6-14/h7-8,15H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyFJCGXBAKIMNIDC-YUMQZZPRSA-N
MW242.28 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate

tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate (PubChem CID 10657786) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
PubChem CID10657786
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nametert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])[C@@H](O)C1
InChIInChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)14-5-4-7(12-13-11)8(15)6-14/h7-8,15H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyFJCGXBAKIMNIDC-YUMQZZPRSA-N
XLogP1.67
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 3,4-diazidopiperidine-1-carboxylate
CID 76541415
ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 18643573
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-azidoazepane-1-carboxylate
CID 151358717
tert-butyl 3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 122590806
tert-butyl (3S,4S)-3-azido-4-cyclopropylpyrrolidine-1-carboxylate
CID 134363687
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4R)-3-azido-4-methoxypyrrolidine-1-carboxylate
CID 92859268
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate (CID 10657786) is tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])[C@@H](O)C1.
What is the InChIKey of tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
The InChIKey is FJCGXBAKIMNIDC-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,3)17-9(16)14-5-4-7(12-13-11)8(15)6-14/h7-8,15H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 10657786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).