1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane

C18H33NO6 — CID 174806734

IUPAC1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
SMILESC1COCCO1.CCOC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4.C4H8O2/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4;1-2-6-4-3-5-1/h6-10H2,1-5H3;1-4H2
InChIKeyXMYAKHJWQIABOR-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.62
Rot. Bonds2

About 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane

1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane (PubChem CID 174806734) has the molecular formula C18H33NO6 and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
PubChem CID174806734
Molecular FormulaC18H33NO6
Molecular Weight359.46 g/mol
Exact Mass359.23
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
SMILESC1COCCO1.CCOC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4.C4H8O2/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4;1-2-6-4-3-5-1/h6-10H2,1-5H3;1-4H2
InChIKeyXMYAKHJWQIABOR-UHFFFAOYSA-N
XLogP2.62
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
1-O-tert-butyl 4-O-(3-methylbut-2-enyl) 4-methylpiperidine-1,4-dicarboxylate
CID 175346524
1-O-tert-butyl 4-O-ethyl 4-propan-2-ylpiperidine-1,4-dicarboxylate
CID 53393416
4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
CID 132989321
1-O-tert-butyl 4-O-ethyl 4-ethenylpiperidine-1,4-dicarboxylate
CID 118176170
1-O-tert-butyl 4-O-ethyl 4-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxylate
CID 59527747
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl 7-(4-ethoxycarbonyl-4-methylpiperidin-1-yl)-8-methyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate
CID 140704131
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane (CID 174806734) is 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane is C1COCCO1.CCOC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane?
The InChIKey is XMYAKHJWQIABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4.C4H8O2/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4;1-2-6-4-3-5-1/h6-10H2,1-5H3;1-4H2.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane?
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane has a molecular weight of 359.46 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane is sourced from PubChem (CID 174806734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).