tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate

C12H22N4O3 — CID 102537768

IUPACtert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(O)CN=[N+]=[N-]
InChIInChI=1S/C12H22N4O3/c1-12(2,3)19-11(18)16-7-5-4-6-9(16)10(17)8-14-15-13/h9-10,17H,4-8H2,1-3H3
InChIKeyGNVJJIMFMQNOJB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate

tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 102537768) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID102537768
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(O)CN=[N+]=[N-]
InChIInChI=1S/C12H22N4O3/c1-12(2,3)19-11(18)16-7-5-4-6-9(16)10(17)8-14-15-13/h9-10,17H,4-8H2,1-3H3
InChIKeyGNVJJIMFMQNOJB-UHFFFAOYSA-N
XLogP2.45
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.45
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 2-(2-azido-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 102537767
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl (2S)-2-[(1S)-1-hydroxybut-3-ynyl]pyrrolidine-1-carboxylate
CID 101001373
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
CID 102268021
tert-butyl 2-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83487205
tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
CID 102537940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate (CID 102537768) is tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C(O)CN=[N+]=[N-].
What is the InChIKey of tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is GNVJJIMFMQNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-12(2,3)19-11(18)16-7-5-4-6-9(16)10(17)8-14-15-13/h9-10,17H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 102537768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).