benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate

C14H18N4O2 — CID 90196793

IUPACbenzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](N=[N+]=[N-])CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-11-7-8-13(16-17-15)9-18(11)14(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyNNEZVHHEUXLOBP-DGCLKSJQSA-N
MW274.32 g/mol
LogP3.49
Rot. Bonds3

About benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate

benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate (PubChem CID 90196793) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
PubChem CID90196793
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namebenzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](N=[N+]=[N-])CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-11-7-8-13(16-17-15)9-18(11)14(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyNNEZVHHEUXLOBP-DGCLKSJQSA-N
XLogP3.49
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate 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

benzyl 6-azido-2-(azidomethyl)azepane-1-carboxylate
CID 11727214
1-O-benzyl 2-O-methyl (2R,4R)-4-azidopyrrolidine-1,2-dicarboxylate
CID 11162503
benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
2-O-benzyl 1-O-tert-butyl 5-azidopiperidine-1,2-dicarboxylate
CID 138462592
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
benzyl (2R,5R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 11521972
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 154193684
benzyl 3-azido-2-methyl-2,5-dihydropyrrole-1-carboxylate
CID 174494552
1-O-benzyl 2-O-methyl (2S,3R)-3-azidopyrrolidine-1,2-dicarboxylate
CID 89131859
benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate
CID 59382935

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate (CID 90196793) is benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate is C[C@@H]1CC[C@@H](N=[N+]=[N-])CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate?
The InChIKey is NNEZVHHEUXLOBP-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-7-8-13(16-17-15)9-18(11)14(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate?
benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 90196793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).