tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol

C29H61NO6Si — CID 158161836

IUPACtert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol
SMILESC.COC1(CCO)CCCCC1.COC1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H39NO4Si.C9H18O2.CH4/c1-17(2,3)24-16(21)20-13-10-19(22-7,11-14-20)12-15-23-25(8,9)18(4,5)6;1-11-9(7-8-10)5-3-2-4-6-9;/h10-15H2,1-9H3;10H,2-8H2,1H3;1H4
InChIKeyFWJDAALABQWEAN-UHFFFAOYSA-N
MW547.89 g/mol
LogP7.17
Rot. Bonds8

About tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol

tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol (PubChem CID 158161836) has the molecular formula C29H61NO6Si and a molecular weight of 547.89 g/mol. Its IUPAC name is tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol.

Molecular Properties

Compound Nametert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol
PubChem CID158161836
Molecular FormulaC29H61NO6Si
Molecular Weight547.89 g/mol
Exact Mass547.43
IUPAC Nametert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol
SMILESC.COC1(CCO)CCCCC1.COC1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H39NO4Si.C9H18O2.CH4/c1-17(2,3)24-16(21)20-13-10-19(22-7,11-14-20)12-15-23-25(8,9)18(4,5)6;1-11-9(7-8-10)5-3-2-4-6-9;/h10-15H2,1-9H3;10H,2-8H2,1H3;1H4
InChIKeyFWJDAALABQWEAN-UHFFFAOYSA-N
XLogP7.17
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.89
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol with MolForge

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Related Compounds

tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 175692291
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 166071441
1-O-tert-butyl 3-O-ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,3-dicarboxylate
CID 69438814
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentyl] 2-methylprop-2-enoate
CID 89027286
tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 156726522
tert-butyl 4-(cyanomethyl)-4-methoxypiperidine-1-carboxylate
CID 101392924
tert-butyl 4-cyclohexyl-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 21018689
tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 156832842
tert-butyl 4-(2-hydroxyethyl)-4-isocyanopiperidine-1-carboxylate
CID 88867098
tert-butyl 4-(bromomethyl)-4-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773138
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol?
The IUPAC name of tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol (CID 158161836) is tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol.
What is the SMILES notation for tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol?
The canonical SMILES for tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol is C.COC1(CCO)CCCCC1.COC1(CCO[Si](C)(C)C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol?
The InChIKey is FWJDAALABQWEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO4Si.C9H18O2.CH4/c1-17(2,3)24-16(21)20-13-10-19(22-7,11-14-20)12-15-23-25(8,9)18(4,5)6;1-11-9(7-8-10)5-3-2-4-6-9;/h10-15H2,1-9H3;10H,2-8H2,1H3;1H4.
What are the key properties of tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol?
tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol has a molecular weight of 547.89 g/mol, XLogP of 7.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol is sourced from PubChem (CID 158161836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).