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

C13H23NO5 — CID 117273382

IUPAC1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
SMILESCCOC(=O)C1(O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO5/c1-5-18-10(15)13(17)7-6-8-14(9-13)11(16)19-12(2,3)4/h17H,5-9H2,1-4H3
InChIKeyNEKXFGMSLXWVQT-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.31
Rot. Bonds2

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

1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate (PubChem CID 117273382) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
PubChem CID117273382
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
SMILESCCOC(=O)C1(O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO5/c1-5-18-10(15)13(17)7-6-8-14(9-13)11(16)19-12(2,3)4/h17H,5-9H2,1-4H3
InChIKeyNEKXFGMSLXWVQT-UHFFFAOYSA-N
XLogP1.31
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
1-O-tert-butyl 3-O-ethyl 3-methylpiperidine-1,3-dicarboxylate;tert-butyl 3-(methoxymethyl)-3-methylpiperidine-1-carboxylate;ethane
CID 144691608
tert-butyl 3-[(3Z)-4-bromohexa-1,3-dien-3-yl]-3-hydroxypiperidine-1-carboxylate
CID 171497850
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739379
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
1-O-tert-butyl 3-O-ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,3-dicarboxylate
CID 69438814
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate (CID 117273382) is 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate is CCOC(=O)C1(O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate?
The InChIKey is NEKXFGMSLXWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-18-10(15)13(17)7-6-8-14(9-13)11(16)19-12(2,3)4/h17H,5-9H2,1-4H3.
What are the key properties of 1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.31, 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-ethyl 3-hydroxypiperidine-1,3-dicarboxylate is sourced from PubChem (CID 117273382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).