(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid

C22H28FNO3Si — CID 175815286

IUPAC(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1CCN(C(=O)O)C[C@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28FNO3Si/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20-14-15-24(21(25)26)16-19(20)23/h4-13,19-20H,14-16H2,1-3H3,(H,25,26)/t19-,20+/m1/s1
InChIKeyDWSUOYPHIMTMRH-UXHICEINSA-N
MW401.55 g/mol
LogP3.65
Rot. Bonds4

About (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid

(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid (PubChem CID 175815286) has the molecular formula C22H28FNO3Si and a molecular weight of 401.55 g/mol. Its IUPAC name is (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
PubChem CID175815286
Molecular FormulaC22H28FNO3Si
Molecular Weight401.55 g/mol
Exact Mass401.18
IUPAC Name(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](O[C@H]1CCN(C(=O)O)C[C@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28FNO3Si/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20-14-15-24(21(25)26)16-19(20)23/h4-13,19-20H,14-16H2,1-3H3,(H,25,26)/t19-,20+/m1/s1
InChIKeyDWSUOYPHIMTMRH-UXHICEINSA-N
XLogP3.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxy-4-ethenylpyrrolidine-1-carboxylic acid
CID 67033690
tert-butyl 8-[tert-butyl(diphenyl)silyl]oxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 171498404
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 170904665
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-methylcyclopentane-1-carboxylic acid
CID 153312960
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 155630213
2-[2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-oxoacetaldehyde
CID 171085570
1-O-tert-butyl 2-O-methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 143106522
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]piperidine-1-carboxylic acid
CID 90311649
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid (CID 175815286) is (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid is CC(C)(C)[Si](O[C@H]1CCN(C(=O)O)C[C@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is DWSUOYPHIMTMRH-UXHICEINSA-N. The full InChI is InChI=1S/C22H28FNO3Si/c1-22(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)27-20-14-15-24(21(25)26)16-19(20)23/h4-13,19-20H,14-16H2,1-3H3,(H,25,26)/t19-,20+/m1/s1.
What are the key properties of (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid?
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 401.55 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 175815286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).