3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine

C15H19FN4O — CID 138051998

IUPAC3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine
SMILESCc1cc(F)ccc1[C@H](C)n1cc(C2COCCN2)nn1
InChIInChI=1S/C15H19FN4O/c1-10-7-12(16)3-4-13(10)11(2)20-8-14(18-19-20)15-9-21-6-5-17-15/h3-4,7-8,11,15,17H,5-6,9H2,1-2H3/t11-,15?/m0/s1
InChIKeyDXEUVDBJOPEUPK-VPHXOMNUSA-N
MW290.34 g/mol
LogP2.00
Rot. Bonds3

About 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine

3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine (PubChem CID 138051998) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine.

Molecular Properties

Compound Name3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine
PubChem CID138051998
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine
SMILESCc1cc(F)ccc1[C@H](C)n1cc(C2COCCN2)nn1
InChIInChI=1S/C15H19FN4O/c1-10-7-12(16)3-4-13(10)11(2)20-8-14(18-19-20)15-9-21-6-5-17-15/h3-4,7-8,11,15,17H,5-6,9H2,1-2H3/t11-,15?/m0/s1
InChIKeyDXEUVDBJOPEUPK-VPHXOMNUSA-N
XLogP2.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{1-[1-(2,3-dimethylbenzyl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol
CID 46986437
2-{1-[1-(2,3,6-trifluorobenzyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}ethanol
CID 30936370
3-Amino-2-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]butan-1-ol
CID 123392017
(1S,5S,6R)-5-[4-(3-fluorophenyl)triazol-1-yl]-7-oxa-3-azabicyclo[4.1.0]heptane
CID 155797754
5-[4-(3-Fluorophenyl)triazol-1-yl]oxan-3-amine
CID 157041280
4-(3-Fluorophenyl)-1-(oxan-3-yl)triazole
CID 157041287
(1R,5R,6S)-5-[4-(3-fluorophenyl)triazol-1-yl]-7-oxa-3-azabicyclo[4.1.0]heptane
CID 157041315
(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-5-(methylamino)oxan-4-ol
CID 157041320
(3R,4R,5S)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol
CID 166525621
(3R,4S,5S)-3-amino-5-[4-(3-fluorophenyl)triazol-1-yl]oxan-4-ol
CID 166525642
3-[4-(3-Fluorophenyl)triazol-1-yl]-2-(methylamino)oxan-4-ol
CID 168801385
(3S,4S,5R)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-methyl-5-(methylamino)piperidin-4-ol
CID 168801386

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine?
The IUPAC name of 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine (CID 138051998) is 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine.
What is the SMILES notation for 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine?
The canonical SMILES for 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine is Cc1cc(F)ccc1[C@H](C)n1cc(C2COCCN2)nn1.
What is the InChIKey of 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine?
The InChIKey is DXEUVDBJOPEUPK-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-10-7-12(16)3-4-13(10)11(2)20-8-14(18-19-20)15-9-21-6-5-17-15/h3-4,7-8,11,15,17H,5-6,9H2,1-2H3/t11-,15?/m0/s1.
What are the key properties of 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine?
3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine has a molecular weight of 290.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]triazol-4-yl]morpholine is sourced from PubChem (CID 138051998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).