tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate

C14H25NO5 — CID 156745703

IUPACtert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C14H25NO5/c1-5-19-12(17)8-10-6-7-15(9-11(10)16)13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyGTKJYCRYEPSSEH-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate

tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate (PubChem CID 156745703) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
PubChem CID156745703
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1O
InChIInChI=1S/C14H25NO5/c1-5-19-12(17)8-10-6-7-15(9-11(10)16)13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyGTKJYCRYEPSSEH-UHFFFAOYSA-N
XLogP1.56
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 3-O-ethyl (3S,4R)-4-hydroxypiperidine-1,3-dicarboxylate
CID 10492484
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216
tert-butyl (1S,5R)-6-(2-ethoxy-2-oxoethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 175863008
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-methylidenepiperidine-1-carboxylate
CID 11087287
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl 3-amino-4-ethoxypiperidine-1-carboxylate
CID 75355534
tert-butyl 3-methylpyrrolidine-1-carboxylate;ethane;ethyl formate
CID 145438130
tert-butyl (3R,4S)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 86648467
tert-butyl 3-(4-ethoxy-2,4-dioxobutyl)piperidine-1-carboxylate
CID 24730344
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 86327283

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate (CID 156745703) is tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate is CCOC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1O.
What is the InChIKey of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is GTKJYCRYEPSSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-19-12(17)8-10-6-7-15(9-11(10)16)13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate?
tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 156745703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).