[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane

C27H33NOSi — CID 174429442

IUPAC[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CNC(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24-20-23(28-21-24)19-22-13-7-4-8-14-22/h4-18,23-24,28H,19-21H2,1-3H3/t23?,24-/m1/s1
InChIKeyHGNQJOILILTACZ-XMMISQBUSA-N
MW415.65 g/mol
LogP4.54
Rot. Bonds6

About [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane

[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 174429442) has the molecular formula C27H33NOSi and a molecular weight of 415.65 g/mol. Its IUPAC name is [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane
PubChem CID174429442
Molecular FormulaC27H33NOSi
Molecular Weight415.65 g/mol
Exact Mass415.23
IUPAC Name[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CNC(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24-20-23(28-21-24)19-22-13-7-4-8-14-22/h4-18,23-24,28H,19-21H2,1-3H3/t23?,24-/m1/s1
InChIKeyHGNQJOILILTACZ-XMMISQBUSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane 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

2-[[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methyl]benzoic acid
CID 174143265
4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 71317354
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(1S,2R,4R)-1-[[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methylsulfanylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 46177944
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane
CID 177203387
1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol
CID 142668206

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane (CID 174429442) is [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@H]1CNC(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is HGNQJOILILTACZ-XMMISQBUSA-N. The full InChI is InChI=1S/C27H33NOSi/c1-27(2,3)30(25-15-9-5-10-16-25,26-17-11-6-12-18-26)29-24-20-23(28-21-24)19-22-13-7-4-8-14-22/h4-18,23-24,28H,19-21H2,1-3H3/t23?,24-/m1/s1.
What are the key properties of [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane?
[(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 415.65 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-benzylpyrrolidin-3-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 174429442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).