tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate

C24H44N2O6 — CID 163717064

IUPACtert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate
SMILESCCC1CCC(=O)CN1C(=O)OC(C)(C)C.CCC1CCC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3.C12H21NO3/c2*1-5-9-6-7-10(14)8-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyKOGZJVLQFKTLQQ-UHFFFAOYSA-N
MW456.62 g/mol
LogP4.52
Rot. Bonds2

About tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate

tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate (PubChem CID 163717064) has the molecular formula C24H44N2O6 and a molecular weight of 456.62 g/mol. Its IUPAC name is tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate
PubChem CID163717064
Molecular FormulaC24H44N2O6
Molecular Weight456.62 g/mol
Exact Mass456.32
IUPAC Nametert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate
SMILESCCC1CCC(=O)CN1C(=O)OC(C)(C)C.CCC1CCC(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3.C12H21NO3/c2*1-5-9-6-7-10(14)8-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyKOGZJVLQFKTLQQ-UHFFFAOYSA-N
XLogP4.52
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate
CID 67362605
tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 102568585
tert-butyl 2-acetyl-5-hydroxypiperidine-1-carboxylate
CID 160765537
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
(2S,5S)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 66776878
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143
tert-butyl (2R)-2-ethyl-5-hydroxypiperazine-1-carboxylate
CID 174176969
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl 2-(3,3-dimethylbutyl)-4-oxopyrrolidine-1-carboxylate
CID 172607958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate (CID 163717064) is tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate is CCC1CCC(=O)CN1C(=O)OC(C)(C)C.CCC1CCC(O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate?
The InChIKey is KOGZJVLQFKTLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.C12H21NO3/c2*1-5-9-6-7-10(14)8-13(9)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3;9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate?
tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate has a molecular weight of 456.62 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-5-hydroxypiperidine-1-carboxylate;tert-butyl 2-ethyl-5-oxopiperidine-1-carboxylate is sourced from PubChem (CID 163717064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).