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

C20H23FN2O3 — CID 75450351

IUPACtert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(N2CCOC(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
InChIKeyUWOHNMUILFNOHM-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.75
Rot. Bonds3

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

tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate (PubChem CID 75450351) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate
PubChem CID75450351
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nametert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(N2CCOC(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
InChIKeyUWOHNMUILFNOHM-UHFFFAOYSA-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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Related Compounds

2-(Morpholin-4-yl)isonicotinic acid
CID 2762479
3-[4-(pyridin-2-yl)piperazin-1-yl]-2-benzofuran-1(3H)-one
CID 662516
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
2-[2-(4-Fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10133485
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11176034
Methyl 3-(4-fluorophenyl)-1-methyl-5-morpholin-4-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419777
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 57877765
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793923
Propan-2-yl 6-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 1483238
Propan-2-yl 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 4434846
(1-Oxo-1-phenylpropan-2-yl) 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16285159
Methyl 2-fluoro-6-[3-fluoro-4-[[[5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44411050

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate (CID 75450351) is tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(N2CCOC(c3ccc(F)cc3)C2)c1.
What is the InChIKey of tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
The InChIKey is UWOHNMUILFNOHM-UHFFFAOYSA-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.
What are the key properties of tert-butyl 2-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate?
tert-butyl 2-[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-[2-(4-fluorophenyl)morpholin-4-yl]pyridine-4-carboxylate is sourced from PubChem (CID 75450351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).