tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate

C14H21N3O4 — CID 103554275

IUPACtert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(O)c1cnccn1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-6-7-20-9-11(17)12(18)10-8-15-4-5-16-10/h4-5,8,11-12,18H,6-7,9H2,1-3H3
InChIKeyCNXHUYIFGYIEJO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.15
Rot. Bonds2

About tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate

tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate (PubChem CID 103554275) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate
PubChem CID103554275
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Nametert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(O)c1cnccn1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-6-7-20-9-11(17)12(18)10-8-15-4-5-16-10/h4-5,8,11-12,18H,6-7,9H2,1-3H3
InChIKeyCNXHUYIFGYIEJO-UHFFFAOYSA-N
XLogP1.15
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
CID 103554099
tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate
CID 103554531
tert-butyl 3-[(2-ethoxy-3-fluoro-4-pyridinyl)-hydroxymethyl]morpholine-4-carboxylate
CID 114270358
tert-butyl 3-[(3,4-difluorophenyl)-hydroxymethyl]morpholine-4-carboxylate
CID 103554175
tert-butyl 3-[(3-fluoro-4-methylphenyl)-hydroxymethyl]morpholine-4-carboxylate
CID 107128657
(2S)-2-(4-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
CID 66845289
tert-butyl 3-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]morpholine-4-carboxylate
CID 103554501
tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate
CID 107048261
tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl 3-(1-hydroxyheptyl)morpholine-4-carboxylate
CID 103554147
tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175693

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate (CID 103554275) is tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(O)c1cnccn1.
What is the InChIKey of tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate?
The InChIKey is CNXHUYIFGYIEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)17-6-7-20-9-11(17)12(18)10-8-15-4-5-16-10/h4-5,8,11-12,18H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate?
tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).