(1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate

C22H35NO3Si — CID 91721248

IUPAC(1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCC(C)N1C2CCC1CC(C(=O)OC(CO[Si](C)(C)C)c1ccccc1)C2
InChIInChI=1S/C22H35NO3Si/c1-16(2)23-19-11-12-20(23)14-18(13-19)22(24)26-21(15-25-27(3,4)5)17-9-7-6-8-10-17/h6-10,16,18-21H,11-15H2,1-5H3
InChIKeyFNFWPBCJIYRYJV-UHFFFAOYSA-N
MW389.61 g/mol
LogP4.77
Rot. Bonds7

About (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate

(1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 91721248) has the molecular formula C22H35NO3Si and a molecular weight of 389.61 g/mol. Its IUPAC name is (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Name(1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID91721248
Molecular FormulaC22H35NO3Si
Molecular Weight389.61 g/mol
Exact Mass389.24
IUPAC Name(1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCC(C)N1C2CCC1CC(C(=O)OC(CO[Si](C)(C)C)c1ccccc1)C2
InChIInChI=1S/C22H35NO3Si/c1-16(2)23-19-11-12-20(23)14-18(13-19)22(24)26-21(15-25-27(3,4)5)17-9-7-6-8-10-17/h6-10,16,18-21H,11-15H2,1-5H3
InChIKeyFNFWPBCJIYRYJV-UHFFFAOYSA-N
XLogP4.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate with MolForge

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Related Compounds

(2-Hydroxy-1-phenylethyl) 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate
CID 11957563
B5167
CID 207090
(2-Hydroxy-1-phenylethyl) 8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate bromide
CID 11957562
Benzoic acid 8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44362449
Lopac-I-1637
CID 6603883
(2-Hydroxy-1-phenylethyl) 8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 24867681
Atropine TMS derivative
CID 580037
dl-Homatropine, methyl ether
CID 12942062
Homatropine, TMS derivative
CID 91712369
tert-butyl (2S)-2-[(3R,4R)-5-oxo-4-phenylmethoxy-5-trimethylsilyloxypent-1-en-3-yl]pyrrolidine-1-carboxylate
CID 135011958
1-Butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-phenylmethoxy-8-azabicyclo[3.2.1]octan-3-one
CID 162415172
(2-hydroxy-1-phenylethyl) (1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octane-3-carboxylate bromide
CID 131841814

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate (CID 91721248) is (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate is CC(C)N1C2CCC1CC(C(=O)OC(CO[Si](C)(C)C)c1ccccc1)C2.
What is the InChIKey of (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is FNFWPBCJIYRYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3Si/c1-16(2)23-19-11-12-20(23)14-18(13-19)22(24)26-21(15-25-27(3,4)5)17-9-7-6-8-10-17/h6-10,16,18-21H,11-15H2,1-5H3.
What are the key properties of (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate?
(1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 389.61 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-2-trimethylsilyloxyethyl) 8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 91721248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).