tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate

C33H51NO4Si — CID 123285187

IUPACtert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate
SMILESC[C@H](CCCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H51NO4Si/c1-27(17-15-16-26-36-33(8)22-24-34(25-23-33)30(35)37-31(2,3)4)38-39(32(5,6)7,28-18-11-9-12-19-28)29-20-13-10-14-21-29/h9-14,18-21,27H,15-17,22-26H2,1-8H3/t27-/m1/s1
InChIKeyBSRMKVBBVNIEDF-HHHXNRCGSA-N
MW553.86 g/mol
LogP6.93
Rot. Bonds10

About tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate (PubChem CID 123285187) has the molecular formula C33H51NO4Si and a molecular weight of 553.86 g/mol. Its IUPAC name is tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate
PubChem CID123285187
Molecular FormulaC33H51NO4Si
Molecular Weight553.86 g/mol
Exact Mass553.36
IUPAC Nametert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate
SMILESC[C@H](CCCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H51NO4Si/c1-27(17-15-16-26-36-33(8)22-24-34(25-23-33)30(35)37-31(2,3)4)38-39(32(5,6)7,28-18-11-9-12-19-28)29-20-13-10-14-21-29/h9-14,18-21,27H,15-17,22-26H2,1-8H3/t27-/m1/s1
InChIKeyBSRMKVBBVNIEDF-HHHXNRCGSA-N
XLogP6.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.86
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
CID 83206494
4-[1-[tert-butyl(diphenyl)silyl]oxyethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 123743890
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
tert-butyl 4-(3-imidazol-1-ylpropoxy)-4-methylpiperidine-1-carboxylate
CID 103916001
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate (CID 123285187) is tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate is C[C@H](CCCCOC1(C)CCN(C(=O)OC(C)(C)C)CC1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate?
The InChIKey is BSRMKVBBVNIEDF-HHHXNRCGSA-N. The full InChI is InChI=1S/C33H51NO4Si/c1-27(17-15-16-26-36-33(8)22-24-34(25-23-33)30(35)37-31(2,3)4)38-39(32(5,6)7,28-18-11-9-12-19-28)29-20-13-10-14-21-29/h9-14,18-21,27H,15-17,22-26H2,1-8H3/t27-/m1/s1.
What are the key properties of tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate has a molecular weight of 553.86 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5R)-5-[tert-butyl(diphenyl)silyl]oxyhexoxy]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 123285187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).