tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane

C26H35FINO2Si — CID 172536646

IUPACtert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1COC[C@@]1(C)N1CC[C@@H](I)[C@H](F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35FINO2Si/c1-25(2,3)32(20-11-7-5-8-12-20,21-13-9-6-10-14-21)31-24-18-30-19-26(24,4)29-16-15-23(28)22(27)17-29/h5-14,22-24H,15-19H2,1-4H3/t22-,23-,24+,26-/m1/s1
InChIKeyIYKVREATDQUWBI-QJXQVQFTSA-N
MW567.56 g/mol
LogP4.57
Rot. Bonds5

About tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane

tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane (PubChem CID 172536646) has the molecular formula C26H35FINO2Si and a molecular weight of 567.56 g/mol. Its IUPAC name is tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane
PubChem CID172536646
Molecular FormulaC26H35FINO2Si
Molecular Weight567.56 g/mol
Exact Mass567.15
IUPAC Nametert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1COC[C@@]1(C)N1CC[C@@H](I)[C@H](F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35FINO2Si/c1-25(2,3)32(20-11-7-5-8-12-20,21-13-9-6-10-14-21)31-24-18-30-19-26(24,4)29-16-15-23(28)22(27)17-29/h5-14,22-24H,15-19H2,1-4H3/t22-,23-,24+,26-/m1/s1
InChIKeyIYKVREATDQUWBI-QJXQVQFTSA-N
XLogP4.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
CID 156730547
Tert-butyl-[3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
CID 156730823
tert-butyl-[(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
CID 164883519
tert-butyl-[(3R,4R)-4-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane
CID 168180973
(3R,4S)-1-[(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]-3-fluoropiperidin-4-ol
CID 168181044
(3R,4R)-3-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]-4-[tert-butyl(diphenyl)silyl]oxyoxolane-3-carbonitrile
CID 168181222
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]oxolane-3-carbonitrile
CID 172536435
tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
CID 175881608
tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
CID 67033581
4-[Tert-butyl(diphenyl)silyl]oxy-3-(4-iodopiperidin-1-yl)oxolane-3-carbonitrile
CID 156730549
Tert-butyl-[4-(4-iodopiperidin-1-yl)oxolan-3-yl]oxy-diphenylsilane
CID 156730727
Tert-butyl-[4-(4-iodopiperidin-1-yl)-4-methyloxolan-3-yl]oxy-diphenylsilane
CID 156730757

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane (CID 172536646) is tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane is CC(C)(C)[Si](O[C@H]1COC[C@@]1(C)N1CC[C@@H](I)[C@H](F)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane?
The InChIKey is IYKVREATDQUWBI-QJXQVQFTSA-N. The full InChI is InChI=1S/C26H35FINO2Si/c1-25(2,3)32(20-11-7-5-8-12-20,21-13-9-6-10-14-21)31-24-18-30-19-26(24,4)29-16-15-23(28)22(27)17-29/h5-14,22-24H,15-19H2,1-4H3/t22-,23-,24+,26-/m1/s1.
What are the key properties of tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane?
tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane has a molecular weight of 567.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 172536646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).