benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate

C20H22INO5 — CID 142093005

IUPACbenzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@](O)(Cc2ccccc2)[C@@H](O[I+][O-])C1
InChIInChI=1S/C20H22INO5/c23-19(26-15-17-9-5-2-6-10-17)22-12-11-20(24,18(14-22)27-21-25)13-16-7-3-1-4-8-16/h1-10,18,24H,11-15H2/t18-,20+/m0/s1
InChIKeyFTRLHHLZNBMDEW-AZUAARDMSA-N
MW483.30 g/mol
LogP-1.33
Rot. Bonds6

About benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate

benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate (PubChem CID 142093005) has the molecular formula C20H22INO5 and a molecular weight of 483.30 g/mol. Its IUPAC name is benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate
PubChem CID142093005
Molecular FormulaC20H22INO5
Molecular Weight483.30 g/mol
Exact Mass483.05
IUPAC Namebenzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@](O)(Cc2ccccc2)[C@@H](O[I+][O-])C1
InChIInChI=1S/C20H22INO5/c23-19(26-15-17-9-5-2-6-10-17)22-12-11-20(24,18(14-22)27-21-25)13-16-7-3-1-4-8-16/h1-10,18,24H,11-15H2/t18-,20+/m0/s1
InChIKeyFTRLHHLZNBMDEW-AZUAARDMSA-N
XLogP-1.33
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.30
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-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 (3S,4R)-4-(aminomethyl)-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 125117327
benzyl 4-hydroxy-3-phenylmethoxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 121378621
benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 90183749
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 118997388
(2R)-6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylate
CID 86307203
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
benzyl (3R)-3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate
CID 102421396
benzyl (1R,6R)-6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124746111
benzyl 3,4-dihydroxy-4-(oxiran-2-yl)piperidine-1-carboxylate
CID 58138456

Frequently Asked Questions

What is the IUPAC name of benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate?
The IUPAC name of benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate (CID 142093005) is benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@](O)(Cc2ccccc2)[C@@H](O[I+][O-])C1.
What is the InChIKey of benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate?
The InChIKey is FTRLHHLZNBMDEW-AZUAARDMSA-N. The full InChI is InChI=1S/C20H22INO5/c23-19(26-15-17-9-5-2-6-10-17)22-12-11-20(24,18(14-22)27-21-25)13-16-7-3-1-4-8-16/h1-10,18,24H,11-15H2/t18-,20+/m0/s1.
What are the key properties of benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate?
benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate has a molecular weight of 483.30 g/mol, XLogP of -1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S,4S)-4-benzyl-4-hydroxy-3-iodosyloxypiperidine-1-carboxylate is sourced from PubChem (CID 142093005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).