4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine

C32H35FN4O2 — CID 159348148

IUPAC4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine
SMILESCCc1ccc(-c2ccc(N3CCOCC3)cc2)cn1.Fc1ccc(-c2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C17H20N2O.C15H15FN2O/c1-2-16-6-3-15(13-18-16)14-4-7-17(8-5-14)19-9-11-20-12-10-19;16-15-6-3-13(11-17-15)12-1-4-14(5-2-12)18-7-9-19-10-8-18/h3-8,13H,2,9-12H2,1H3;1-6,11H,7-10H2
InChIKeyLGZGOUAKKNFEEG-UHFFFAOYSA-N
MW526.66 g/mol
LogP5.87
Rot. Bonds5

About 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine

4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine (PubChem CID 159348148) has the molecular formula C32H35FN4O2 and a molecular weight of 526.66 g/mol. Its IUPAC name is 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine
PubChem CID159348148
Molecular FormulaC32H35FN4O2
Molecular Weight526.66 g/mol
Exact Mass526.27
IUPAC Name4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine
SMILESCCc1ccc(-c2ccc(N3CCOCC3)cc2)cn1.Fc1ccc(-c2ccc(N3CCOCC3)cc2)cn1
InChIInChI=1S/C17H20N2O.C15H15FN2O/c1-2-16-6-3-15(13-18-16)14-4-7-17(8-5-14)19-9-11-20-12-10-19;16-15-6-3-13(11-17-15)12-1-4-14(5-2-12)18-7-9-19-10-8-18/h3-8,13H,2,9-12H2,1H3;1-6,11H,7-10H2
InChIKeyLGZGOUAKKNFEEG-UHFFFAOYSA-N
XLogP5.87
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 90005107
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-[3-(6-ethyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425321
4-(4-ethylphenyl)morpholine
CID 20576442
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
N'-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]ethanimidamide
CID 163654740
2-(6-ethyl-3-pyridinyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604021
N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine
CID 155017064
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
N-[(2-ethoxyphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
CID 24944845
4-[2-cyclopropyl-3-(6-ethyl-3-pyridinyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 67175287
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine?
The IUPAC name of 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine (CID 159348148) is 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine is CCc1ccc(-c2ccc(N3CCOCC3)cc2)cn1.Fc1ccc(-c2ccc(N3CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine?
The InChIKey is LGZGOUAKKNFEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C15H15FN2O/c1-2-16-6-3-15(13-18-16)14-4-7-17(8-5-14)19-9-11-20-12-10-19;16-15-6-3-13(11-17-15)12-1-4-14(5-2-12)18-7-9-19-10-8-18/h3-8,13H,2,9-12H2,1H3;1-6,11H,7-10H2.
What are the key properties of 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine?
4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine has a molecular weight of 526.66 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethyl-3-pyridinyl)phenyl]morpholine;4-[4-(6-fluoro-3-pyridinyl)phenyl]morpholine is sourced from PubChem (CID 159348148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).