1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane

C14H27NO4 — CID 143573437

IUPAC1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane
SMILESCC.COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H21NO4.C2H6/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyCRYYFVIDTUNZNC-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.83
Rot. Bonds1

About 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane

1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane (PubChem CID 143573437) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane
PubChem CID143573437
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane
SMILESCC.COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H21NO4.C2H6/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyCRYYFVIDTUNZNC-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane?
The IUPAC name of 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane (CID 143573437) is 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane is CC.COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane?
The InChIKey is CRYYFVIDTUNZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4.C2H6/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4;1-2/h9H,5-8H2,1-4H3;1-2H3.
What are the key properties of 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane?
1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane has a molecular weight of 273.37 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;ethane is sourced from PubChem (CID 143573437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).