tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate

C14H20N2O3 — CID 16737894

IUPACtert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2cccnc2)C1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-7-8-18-12(10-16)11-5-4-6-15-9-11/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyXUBZXCOCUANQDD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate

tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate (PubChem CID 16737894) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
PubChem CID16737894
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(c2cccnc2)C1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-7-8-18-12(10-16)11-5-4-6-15-9-11/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyXUBZXCOCUANQDD-UHFFFAOYSA-N
XLogP2.39
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl (2S)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine-4-carboxylate
CID 124635561
tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate
CID 171653443
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
CID 152901440
tert-butyl (2R)-2-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylate
CID 123673146
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl (3S)-4-(pyridine-4-carbonyl)-3-pyridin-3-ylpiperazine-1-carboxylate
CID 124841498

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate (CID 16737894) is tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(c2cccnc2)C1.
What is the InChIKey of tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate?
The InChIKey is XUBZXCOCUANQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-7-8-18-12(10-16)11-5-4-6-15-9-11/h4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate?
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate is sourced from PubChem (CID 16737894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).