1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate

C13H24N2O4 — CID 23590626

IUPAC1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-15(8-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyHWBQJXRREBQWDK-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.13
Rot. Bonds2

About 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate (PubChem CID 23590626) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate
PubChem CID23590626
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-15(8-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyHWBQJXRREBQWDK-UHFFFAOYSA-N
XLogP1.13
TPSA81.86 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 ≤ 51.13
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 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate (CID 23590626) is 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OC(C)(C)C)CC1N.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate?
The InChIKey is HWBQJXRREBQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-15(8-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3.
What are the key properties of 1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.13, 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 4-O-ethyl 3-aminopiperidine-1,4-dicarboxylate is sourced from PubChem (CID 23590626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).