diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate

C17H31NO4 — CID 162516909

IUPACdiethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate
SMILESCCOC(=O)C1C(C)NC(C)C(C(=O)OCC)C1C(C)(C)C
InChIInChI=1S/C17H31NO4/c1-8-21-15(19)12-10(3)18-11(4)13(16(20)22-9-2)14(12)17(5,6)7/h10-14,18H,8-9H2,1-7H3
InChIKeyBMGBQFLIXCZMDS-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.39
Rot. Bonds4

About diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate

diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate (PubChem CID 162516909) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate
PubChem CID162516909
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Namediethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate
SMILESCCOC(=O)C1C(C)NC(C)C(C(=O)OCC)C1C(C)(C)C
InChIInChI=1S/C17H31NO4/c1-8-21-15(19)12-10(3)18-11(4)13(16(20)22-9-2)14(12)17(5,6)7/h10-14,18H,8-9H2,1-7H3
InChIKeyBMGBQFLIXCZMDS-UHFFFAOYSA-N
XLogP2.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate (CID 162516909) is diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate is CCOC(=O)C1C(C)NC(C)C(C(=O)OCC)C1C(C)(C)C.
What is the InChIKey of diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate?
The InChIKey is BMGBQFLIXCZMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-8-21-15(19)12-10(3)18-11(4)13(16(20)22-9-2)14(12)17(5,6)7/h10-14,18H,8-9H2,1-7H3.
What are the key properties of diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate?
diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate has a molecular weight of 313.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-tert-butyl-2,6-dimethylpiperidine-3,5-dicarboxylate is sourced from PubChem (CID 162516909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).