methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

C17H23NO2 — CID 69106450

IUPACmethyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CC2CCC(C1)N2C
InChIInChI=1S/C17H23NO2/c1-18-14-8-9-15(18)12-17(11-14,16(19)20-2)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyQYDFPCBFJCZSNZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.65
Rot. Bonds3

About methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate

methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 69106450) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID69106450
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CC2CCC(C1)N2C
InChIInChI=1S/C17H23NO2/c1-18-14-8-9-15(18)12-17(11-14,16(19)20-2)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeyQYDFPCBFJCZSNZ-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate with MolForge

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Related Compounds

methyl (1S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 70100630
(1S,5R)-3-benzyl-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164047
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 3040375
(2S,4R)-2-benzyl-4-hydroxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 67034148
methyl 3-(dibenzylamino)-1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 168763082
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
methyl 8-methyl-3-(3-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 60994641
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenyl(1,3-13C2)propanoate
CID 11087578
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961165

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate (CID 69106450) is methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate is COC(=O)C1(Cc2ccccc2)CC2CCC(C1)N2C.
What is the InChIKey of methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is QYDFPCBFJCZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-14-8-9-15(18)12-17(11-14,16(19)20-2)10-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3.
What are the key properties of methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate?
methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 69106450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).