1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate

C14H25NO4 — CID 86306952

IUPAC1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
SMILESCCOC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-6-18-11(16)14(5)8-7-9-15(10-14)12(17)19-13(2,3)4/h6-10H2,1-5H3/t14-/m1/s1
InChIKeyMXJSGZQOVOWWST-CQSZACIVSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds2

About 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate (PubChem CID 86306952) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
PubChem CID86306952
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
SMILESCCOC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-6-18-11(16)14(5)8-7-9-15(10-14)12(17)19-13(2,3)4/h6-10H2,1-5H3/t14-/m1/s1
InChIKeyMXJSGZQOVOWWST-CQSZACIVSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 3-O-ethyl 3-methylpiperidine-1,3-dicarboxylate;tert-butyl 3-(methoxymethyl)-3-methylpiperidine-1-carboxylate;ethane
CID 144691608
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739379
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
4-O-tert-butyl 2-O-ethyl 2-methylmorpholine-2,4-dicarboxylate
CID 131997082
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
1-O-tert-butyl 3-O-ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,3-dicarboxylate
CID 69438814

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate (CID 86306952) is 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate is CCOC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate?
The InChIKey is MXJSGZQOVOWWST-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-18-11(16)14(5)8-7-9-15(10-14)12(17)19-13(2,3)4/h6-10H2,1-5H3/t14-/m1/s1.
What are the key properties of 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate is sourced from PubChem (CID 86306952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).