benzyl 3-azido-4-hydroxypiperidine-1-carboxylate

C13H16N4O3 — CID 59455704

IUPACbenzyl 3-azido-4-hydroxypiperidine-1-carboxylate
SMILES[N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)CCC1O
InChIInChI=1S/C13H16N4O3/c14-16-15-11-8-17(7-6-12(11)18)13(19)20-9-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2
InChIKeyPWVDWURTOBCLJW-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.07
Rot. Bonds3

About benzyl 3-azido-4-hydroxypiperidine-1-carboxylate

benzyl 3-azido-4-hydroxypiperidine-1-carboxylate (PubChem CID 59455704) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is benzyl 3-azido-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-azido-4-hydroxypiperidine-1-carboxylate
PubChem CID59455704
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namebenzyl 3-azido-4-hydroxypiperidine-1-carboxylate
SMILES[N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)CCC1O
InChIInChI=1S/C13H16N4O3/c14-16-15-11-8-17(7-6-12(11)18)13(19)20-9-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2
InChIKeyPWVDWURTOBCLJW-UHFFFAOYSA-N
XLogP2.07
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.07
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

benzyl (4S)-3-azido-4-hydroxyazepane-1-carboxylate
CID 134546108
benzyl (3S,4S)-3-azido-4-hydroxyazepane-1-carboxylate
CID 121288216
benzyl (4S,5R)-4-azido-5-hydroxyazepane-1-carboxylate
CID 124635222
benzyl (3R,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 15965761
benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate
CID 59382935
benzyl (3R,4R)-3-azido-4-(trioxidanyl)pyrrolidine-1-carboxylate
CID 58395781
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 154809529
tert-butyl (3R,4S)-3-azido-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 131736927
benzyl 4-azido-5-oxoazepane-1-carboxylate
CID 86658408
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl 4-benzyl-3-hydroxypiperidine-1-carboxylate
CID 142093012

Frequently Asked Questions

What is the IUPAC name of benzyl 3-azido-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of benzyl 3-azido-4-hydroxypiperidine-1-carboxylate (CID 59455704) is benzyl 3-azido-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-azido-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for benzyl 3-azido-4-hydroxypiperidine-1-carboxylate is [N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)CCC1O.
What is the InChIKey of benzyl 3-azido-4-hydroxypiperidine-1-carboxylate?
The InChIKey is PWVDWURTOBCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-16-15-11-8-17(7-6-12(11)18)13(19)20-9-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2.
What are the key properties of benzyl 3-azido-4-hydroxypiperidine-1-carboxylate?
benzyl 3-azido-4-hydroxypiperidine-1-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-azido-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 59455704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).