tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate

C20H23FN2O3 — CID 97342168

IUPACtert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(N2CCO[C@H](c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)26-19(24)15-8-9-22-18(12-15)23-10-11-25-17(13-23)14-4-6-16(21)7-5-14/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m0/s1
InChIKeyUWOHNMUILFNOHM-KRWDZBQOSA-N
MW358.41 g/mol
LogP3.75
Rot. Bonds3

About tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate

tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate (PubChem CID 97342168) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate
PubChem CID97342168
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nametert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(N2CCO[C@H](c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)26-19(24)15-8-9-22-18(12-15)23-10-11-25-17(13-23)14-4-6-16(21)7-5-14/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m0/s1
InChIKeyUWOHNMUILFNOHM-KRWDZBQOSA-N
XLogP3.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate (CID 97342168) is tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(N2CCO[C@H](c3ccc(F)cc3)C2)c1.
What is the InChIKey of tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
The InChIKey is UWOHNMUILFNOHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-20(2,3)26-19(24)15-8-9-22-18(12-15)23-10-11-25-17(13-23)14-4-6-16(21)7-5-14/h4-9,12,17H,10-11,13H2,1-3H3/t17-/m0/s1.
What are the key properties of tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate has a molecular weight of 358.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate is sourced from PubChem (CID 97342168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).