1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate

C13H24N2O4 — CID 21303807

IUPAC1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate
SMILESCNC1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-8-6-7-13(9-15,14-4)10(16)18-5/h14H,6-9H2,1-5H3
InChIKeyKNKREAKGOINDRG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.15
Rot. Bonds2

About 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate (PubChem CID 21303807) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate
PubChem CID21303807
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate
SMILESCNC1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-8-6-7-13(9-15,14-4)10(16)18-5/h14H,6-9H2,1-5H3
InChIKeyKNKREAKGOINDRG-UHFFFAOYSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.15
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 3-(methylamino)piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate (CID 21303807) is 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate is CNC1(C(=O)OC)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate?
The InChIKey is KNKREAKGOINDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-8-6-7-13(9-15,14-4)10(16)18-5/h14H,6-9H2,1-5H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 3-(methylamino)piperidine-1,3-dicarboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.15, 2 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 3-(methylamino)piperidine-1,3-dicarboxylate is sourced from PubChem (CID 21303807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).