(2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol

C7H12N4O2 — CID 134851829

IUPAC(2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol
SMILESC=C[C@@H]1NC[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12N4O2/c1-2-4-6(12)7(13)5(3-9-4)10-11-8/h2,4-7,9,12-13H,1,3H2/t4-,5+,6-,7+/m0/s1
InChIKeyRXEYWDAGBKSDBY-BNHYGAARSA-N
MW184.20 g/mol
LogP-0.46
Rot. Bonds2

About (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol

(2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol (PubChem CID 134851829) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol
PubChem CID134851829
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name(2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol
SMILESC=C[C@@H]1NC[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12N4O2/c1-2-4-6(12)7(13)5(3-9-4)10-11-8/h2,4-7,9,12-13H,1,3H2/t4-,5+,6-,7+/m0/s1
InChIKeyRXEYWDAGBKSDBY-BNHYGAARSA-N
XLogP-0.46
TPSA101.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol;hydrochloride
CID 57341106
(2R,3S,4S,5R)-2-ethenylpiperidine-3,4,5-triol
CID 57341107
[(2R,3S,4S,5R)-2-ethenyl-3,5-dihydroxypiperidin-4-yl] hypoiodite
CID 89597130
2-Ethenylpiperidin-3-ol
CID 139998904

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol?
The IUPAC name of (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol (CID 134851829) is (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol?
The canonical SMILES for (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol is C=C[C@@H]1NC[C@@H](N=[N+]=[N-])[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol?
The InChIKey is RXEYWDAGBKSDBY-BNHYGAARSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-4-6(12)7(13)5(3-9-4)10-11-8/h2,4-7,9,12-13H,1,3H2/t4-,5+,6-,7+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol?
(2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol has a molecular weight of 184.20 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-azido-2-ethenylpiperidine-3,4-diol is sourced from PubChem (CID 134851829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).