1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate

C9H16N4O3 — CID 174491277

IUPAC1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate
SMILESCC(N=[N+]=[N-])OC(=O)CC1(O)CCNCC1
InChIInChI=1S/C9H16N4O3/c1-7(12-13-10)16-8(14)6-9(15)2-4-11-5-3-9/h7,11,15H,2-6H2,1H3
InChIKeyKQNUZKJJGGVFLL-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.69
Rot. Bonds4

About 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate

1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate (PubChem CID 174491277) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate.

Molecular Properties

Compound Name1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate
PubChem CID174491277
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate
SMILESCC(N=[N+]=[N-])OC(=O)CC1(O)CCNCC1
InChIInChI=1S/C9H16N4O3/c1-7(12-13-10)16-8(14)6-9(15)2-4-11-5-3-9/h7,11,15H,2-6H2,1H3
InChIKeyKQNUZKJJGGVFLL-UHFFFAOYSA-N
XLogP0.69
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxypiperidin-4-yl)acetic acid
CID 15565781
N-ethyl-2-(4-hydroxypiperidin-4-yl)acetamide
CID 84719027
ethyl 4-azidopiperidine-4-carboxylate
CID 150250309
3-(azidomethyl)pyrrolidin-3-ol;tert-butyl formate
CID 174792112
(4-hydroxypiperidin-4-yl) butanoate
CID 174641441
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200
[2-(1-hydroxycyclohexyl)acetyl] piperazine-1-carboxylate
CID 174524646
2-(4-hydroxypiperidin-4-yl)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 177010300
ethane;4-(methoxymethyl)piperidin-4-ol
CID 143945280
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983595
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879

Frequently Asked Questions

What is the IUPAC name of 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate?
The IUPAC name of 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate (CID 174491277) is 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate.
What is the SMILES notation for 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate?
The canonical SMILES for 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate is CC(N=[N+]=[N-])OC(=O)CC1(O)CCNCC1.
What is the InChIKey of 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate?
The InChIKey is KQNUZKJJGGVFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7(12-13-10)16-8(14)6-9(15)2-4-11-5-3-9/h7,11,15H,2-6H2,1H3.
What are the key properties of 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate?
1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate has a molecular weight of 228.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidoethyl 2-(4-hydroxypiperidin-4-yl)acetate is sourced from PubChem (CID 174491277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).