1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate

C15H27NO5 — CID 15696595

IUPAC1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)C(CC)CC1O
InChIInChI=1S/C15H27NO5/c1-6-10-8-12(17)11(13(18)20-7-2)9-16(10)14(19)21-15(3,4)5/h10-12,17H,6-9H2,1-5H3
InChIKeyOUCUATFVXMSJET-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.95
Rot. Bonds3

About 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate (PubChem CID 15696595) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate
PubChem CID15696595
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)C(CC)CC1O
InChIInChI=1S/C15H27NO5/c1-6-10-8-12(17)11(13(18)20-7-2)9-16(10)14(19)21-15(3,4)5/h10-12,17H,6-9H2,1-5H3
InChIKeyOUCUATFVXMSJET-UHFFFAOYSA-N
XLogP1.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.95
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-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate (CID 15696595) is 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate is CCOC(=O)C1CN(C(=O)OC(C)(C)C)C(CC)CC1O.
What is the InChIKey of 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate?
The InChIKey is OUCUATFVXMSJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-6-10-8-12(17)11(13(18)20-7-2)9-16(10)14(19)21-15(3,4)5/h10-12,17H,6-9H2,1-5H3.
What are the key properties of 1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate has a molecular weight of 301.38 g/mol, XLogP of 1.95, 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-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate is sourced from PubChem (CID 15696595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).