1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate

C14H25NO5 — CID 86727782

IUPAC1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CCC(CCO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-9-10(12(17)19-4)5-6-11(15)7-8-16/h10-11,16H,5-9H2,1-4H3
InChIKeyBYQXIFWBYPDZJI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.56
Rot. Bonds3

About 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate (PubChem CID 86727782) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate
PubChem CID86727782
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CCC(CCO)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-9-10(12(17)19-4)5-6-11(15)7-8-16/h10-11,16H,5-9H2,1-4H3
InChIKeyBYQXIFWBYPDZJI-UHFFFAOYSA-N
XLogP1.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate (CID 86727782) is 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate is COC(=O)C1CCC(CCO)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate?
The InChIKey is BYQXIFWBYPDZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-14(2,3)20-13(18)15-9-10(12(17)19-4)5-6-11(15)7-8-16/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 6-(2-hydroxyethyl)piperidine-1,3-dicarboxylate is sourced from PubChem (CID 86727782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).