2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate

C8H14N4O3 — CID 174536746

IUPAC2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate
SMILES[N-]=[N+]=NC1CCN(CCOC=O)CC1O
InChIInChI=1S/C8H14N4O3/c9-11-10-7-1-2-12(5-8(7)14)3-4-15-6-13/h6-8,14H,1-5H2
InChIKeyVYOCOSNLRYQGJS-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.10
Rot. Bonds5

About 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate

2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate (PubChem CID 174536746) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate
PubChem CID174536746
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate
SMILES[N-]=[N+]=NC1CCN(CCOC=O)CC1O
InChIInChI=1S/C8H14N4O3/c9-11-10-7-1-2-12(5-8(7)14)3-4-15-6-13/h6-8,14H,1-5H2
InChIKeyVYOCOSNLRYQGJS-UHFFFAOYSA-N
XLogP-0.10
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-azido-1-propylpiperidin-3-ol
CID 149434789
4-azido-1-butylpiperidin-3-ol
CID 123520759
(3R,4R)-4-azido-1-methylpiperidin-3-ol
CID 149434787
4-azido-1-benzylpiperidin-3-ol
CID 76766265
ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 18643573
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
4-azido-1-methylsulfonylpiperidin-3-ol
CID 21070649
tert-butyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 10657786
2-[(3S)-3-methylpiperazin-1-yl]ethyl formate
CID 174476285
2-(4-amino-3-propoxypiperidin-1-yl)ethyl formate;hydrochloride
CID 174550992
4-azido-1-benzylpyrrolidin-3-ol
CID 14612532
3-azidopiperidin-4-ol;benzyl formate
CID 161036210

Frequently Asked Questions

What is the IUPAC name of 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate?
The IUPAC name of 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate (CID 174536746) is 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate.
What is the SMILES notation for 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate?
The canonical SMILES for 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate is [N-]=[N+]=NC1CCN(CCOC=O)CC1O.
What is the InChIKey of 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate?
The InChIKey is VYOCOSNLRYQGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c9-11-10-7-1-2-12(5-8(7)14)3-4-15-6-13/h6-8,14H,1-5H2.
What are the key properties of 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate?
2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate has a molecular weight of 214.22 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azido-3-hydroxypiperidin-1-yl)ethyl formate is sourced from PubChem (CID 174536746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).