ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate

C8H14N4O3 — CID 18643573

IUPACethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](N=[N+]=[N-])[C@@H](O)C1
InChIInChI=1S/C8H14N4O3/c1-2-15-8(14)12-4-3-6(10-11-9)7(13)5-12/h6-7,13H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyBUBAUGPFPFBLQM-BQBZGAKWSA-N
MW214.22 g/mol
LogP0.89
Rot. Bonds2

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

ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate (PubChem CID 18643573) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
PubChem CID18643573
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Nameethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](N=[N+]=[N-])[C@@H](O)C1
InChIInChI=1S/C8H14N4O3/c1-2-15-8(14)12-4-3-6(10-11-9)7(13)5-12/h6-7,13H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyBUBAUGPFPFBLQM-BQBZGAKWSA-N
XLogP0.89
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.89
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 (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate
CID 59382935
benzyl (4S,5R)-4-azido-5-hydroxyazepane-1-carboxylate
CID 124635222
tert-butyl (4R)-3-azido-4-hydroxypiperidine-1-carboxylate
CID 134386921
benzyl 3-azido-4-hydroxypiperidine-1-carboxylate
CID 59455704
(3R,4R)-4-azido-1-propylpiperidin-3-ol
CID 149434789
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
(3R,4R)-4-azido-1-methylpiperidin-3-ol
CID 149434787
tert-butyl 3,4-diazidopiperidine-1-carboxylate
CID 76541415
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
9H-fluoren-9-ylmethyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 91266462
4-azido-1-butylpiperidin-3-ol
CID 123520759

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate (CID 18643573) is ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate is CCOC(=O)N1CC[C@H](N=[N+]=[N-])[C@@H](O)C1.
What is the InChIKey of ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
The InChIKey is BUBAUGPFPFBLQM-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-2-15-8(14)12-4-3-6(10-11-9)7(13)5-12/h6-7,13H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate?
ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 18643573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).