3-azidopiperidin-4-ol;benzyl formate

C13H18N4O3 — CID 161036210

IUPAC3-azidopiperidin-4-ol;benzyl formate
SMILESO=COCc1ccccc1.[N-]=[N+]=NC1CNCCC1O
InChIInChI=1S/C8H8O2.C5H10N4O/c9-7-10-6-8-4-2-1-3-5-8;6-9-8-4-3-7-2-1-5(4)10/h1-5,7H,6H2;4-5,7,10H,1-3H2
InChIKeyUAGZTPOKFRVDNX-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.38
Rot. Bonds4

About 3-azidopiperidin-4-ol;benzyl formate

3-azidopiperidin-4-ol;benzyl formate (PubChem CID 161036210) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-azidopiperidin-4-ol;benzyl formate.

Molecular Properties

Compound Name3-azidopiperidin-4-ol;benzyl formate
PubChem CID161036210
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-azidopiperidin-4-ol;benzyl formate
SMILESO=COCc1ccccc1.[N-]=[N+]=NC1CNCCC1O
InChIInChI=1S/C8H8O2.C5H10N4O/c9-7-10-6-8-4-2-1-3-5-8;6-9-8-4-3-7-2-1-5(4)10/h1-5,7H,6H2;4-5,7,10H,1-3H2
InChIKeyUAGZTPOKFRVDNX-UHFFFAOYSA-N
XLogP1.38
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
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': '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

benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
CID 174789732
(3S,5R,6R)-6-azido-5-phenylmethoxyazepan-3-ol
CID 122224429
benzyl formate;2-methylazetidine
CID 159394402
(2S)-4-azido-3-hydroxy-N-phenylmethoxypyrrolidine-2-carboxamide
CID 59162850
benzyl formate;piperidin-3-ylhydrazine
CID 174774253
benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
CID 142544964
benzyl formate;(6S)-6-methylpiperazin-2-one
CID 174951053
benzyl (4S,5R)-4-azido-5-hydroxyazepane-1-carboxylate
CID 124635222
benzyl 3-azido-4-hydroxypiperidine-1-carboxylate
CID 59455704
benzyl N-(3-azido-4-hydroxycyclohexyl)carbamate
CID 171775824
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370
benzyl (4S)-3-azido-4-hydroxyazepane-1-carboxylate
CID 134546108

Frequently Asked Questions

What is the IUPAC name of 3-azidopiperidin-4-ol;benzyl formate?
The IUPAC name of 3-azidopiperidin-4-ol;benzyl formate (CID 161036210) is 3-azidopiperidin-4-ol;benzyl formate.
What is the SMILES notation for 3-azidopiperidin-4-ol;benzyl formate?
The canonical SMILES for 3-azidopiperidin-4-ol;benzyl formate is O=COCc1ccccc1.[N-]=[N+]=NC1CNCCC1O.
What is the InChIKey of 3-azidopiperidin-4-ol;benzyl formate?
The InChIKey is UAGZTPOKFRVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C5H10N4O/c9-7-10-6-8-4-2-1-3-5-8;6-9-8-4-3-7-2-1-5(4)10/h1-5,7H,6H2;4-5,7,10H,1-3H2.
What are the key properties of 3-azidopiperidin-4-ol;benzyl formate?
3-azidopiperidin-4-ol;benzyl formate has a molecular weight of 278.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopiperidin-4-ol;benzyl formate is sourced from PubChem (CID 161036210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).