tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate

C15H29NO4 — CID 83207371

IUPACtert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate
SMILESCCOCCOC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29NO4/c1-6-18-10-11-19-15(5)8-7-9-16(12-15)13(17)20-14(2,3)4/h6-12H2,1-5H3
InChIKeyUVOOWWGBPDKACO-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate

tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate (PubChem CID 83207371) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate
PubChem CID83207371
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate
SMILESCCOCCOC1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29NO4/c1-6-18-10-11-19-15(5)8-7-9-16(12-15)13(17)20-14(2,3)4/h6-12H2,1-5H3
InChIKeyUVOOWWGBPDKACO-UHFFFAOYSA-N
XLogP2.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate
CID 83207465
tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
CID 83206251
tert-butyl 3-(2-butoxyethoxy)-3-methylpyrrolidine-1-carboxylate
CID 83207232
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
tert-butyl 3-(2-butoxyethoxy)-3-(iodomethyl)piperidine-1-carboxylate
CID 104969629
tert-butyl 3-methyl-3-(2-phenoxyethoxy)pyrrolidine-1-carboxylate
CID 103916198
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 83207478

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate (CID 83207371) is tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate is CCOCCOC1(C)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate?
The InChIKey is UVOOWWGBPDKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-6-18-10-11-19-15(5)8-7-9-16(12-15)13(17)20-14(2,3)4/h6-12H2,1-5H3.
What are the key properties of tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate?
tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 83207371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).