benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate

C14H18N4O2 — CID 59382935

IUPACbenzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C14H18N4O2/c1-11-9-18(8-7-13(11)16-17-15)14(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyJRYGQALRHBFMSR-DGCLKSJQSA-N
MW274.32 g/mol
LogP3.34
Rot. Bonds3

About benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate

benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate (PubChem CID 59382935) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate
PubChem CID59382935
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namebenzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C14H18N4O2/c1-11-9-18(8-7-13(11)16-17-15)14(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13-/m1/s1
InChIKeyJRYGQALRHBFMSR-DGCLKSJQSA-N
XLogP3.34
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 ≤ 53.34
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 (3R,4R)-4-azido-3-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 3-azido-4-hydroxypiperidine-1-carboxylate
CID 59455704
benzyl (4S,5R)-4-azido-5-hydroxyazepane-1-carboxylate
CID 124635222
benzyl (3S,4S)-3-azido-4-hydroxyazepane-1-carboxylate
CID 121288216
benzyl (4S)-3-azido-4-hydroxyazepane-1-carboxylate
CID 134546108
benzyl (3R,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 15965761
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
tert-butyl (3R,4S)-3-azido-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 131736927
1-O-benzyl 2-O-methyl (2S,3R)-3-azidopyrrolidine-1,2-dicarboxylate
CID 89131859
benzyl (3R,4R)-4-anilino-3-methylpiperidine-1-carboxylate
CID 14987150
sodium;tert-butyl (3S,4R)-3-azido-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl (3R,4R)-3-methyl-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;methane;azide
CID 158163822
benzyl 4-azido-5-oxoazepane-1-carboxylate
CID 86658408
benzyl (3R,4R)-3-azido-4-(trioxidanyl)pyrrolidine-1-carboxylate
CID 58395781

Frequently Asked Questions

What is the IUPAC name of benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate (CID 59382935) is benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate is C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1N=[N+]=[N-].
What is the InChIKey of benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate?
The InChIKey is JRYGQALRHBFMSR-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-9-18(8-7-13(11)16-17-15)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 (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate?
benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,4R)-4-azido-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 59382935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).