tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate

C15H29NO5 — CID 83206348

IUPACtert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
SMILESCOC(COC1(C)CCN(C(=O)OC(C)(C)C)CC1)OC
InChIInChI=1S/C15H29NO5/c1-14(2,3)21-13(17)16-9-7-15(4,8-10-16)20-11-12(18-5)19-6/h12H,7-11H2,1-6H3
InChIKeyLHUIROYYNANQGG-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.41
Rot. Bonds5

About tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate (PubChem CID 83206348) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
PubChem CID83206348
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nametert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
SMILESCOC(COC1(C)CCN(C(=O)OC(C)(C)C)CC1)OC
InChIInChI=1S/C15H29NO5/c1-14(2,3)21-13(17)16-9-7-15(4,8-10-16)20-11-12(18-5)19-6/h12H,7-11H2,1-6H3
InChIKeyLHUIROYYNANQGG-UHFFFAOYSA-N
XLogP2.41
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
CID 83206494
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 113351202
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 2-(hydroxymethyl)-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657091

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate (CID 83206348) is tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate is COC(COC1(C)CCN(C(=O)OC(C)(C)C)CC1)OC.
What is the InChIKey of tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate?
The InChIKey is LHUIROYYNANQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-14(2,3)21-13(17)16-9-7-15(4,8-10-16)20-11-12(18-5)19-6/h12H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 83206348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).