4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

C17H24N4O2 — CID 129007338

IUPAC4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCOc1ccc(C(C)CN2CCOC(c3nncn3C)C2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(14-4-6-15(22-3)7-5-14)10-21-8-9-23-16(11-21)17-19-18-12-20(17)2/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyZVJDGVOEIORENY-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine

4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129007338) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129007338
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCOc1ccc(C(C)CN2CCOC(c3nncn3C)C2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(14-4-6-15(22-3)7-5-14)10-21-8-9-23-16(11-21)17-19-18-12-20(17)2/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyZVJDGVOEIORENY-UHFFFAOYSA-N
XLogP2.00
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine
CID 124845902
4-[2-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethoxy]benzonitrile
CID 128997059
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
(2S)-1-(3-methylphenoxy)-3-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-2-ol
CID 129340153
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342344
(2S)-4-[2-[(3R,5R)-3,5-dimethylcyclohexyl]ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129332459
(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129338250
(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129335905
2-[4-[1-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholin-4-yl]propan-2-yl]phenoxy]ethanol
CID 67936262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129007338) is 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is COc1ccc(C(C)CN2CCOC(c3nncn3C)C2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is ZVJDGVOEIORENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(14-4-6-15(22-3)7-5-14)10-21-8-9-23-16(11-21)17-19-18-12-20(17)2/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 316.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129007338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).