1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone

C15H26N2O3 — CID 81102917

IUPAC1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCC2(O)CCCCC2C1
InChIInChI=1S/C15H26N2O3/c18-14(9-13-11-20-8-6-16-13)17-7-5-15(19)4-2-1-3-12(15)10-17/h12-13,16,19H,1-11H2
InChIKeyNBADEVILIFOJBQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.52
Rot. Bonds2

About 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone

1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone (PubChem CID 81102917) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone
PubChem CID81102917
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCC2(O)CCCCC2C1
InChIInChI=1S/C15H26N2O3/c18-14(9-13-11-20-8-6-16-13)17-7-5-15(19)4-2-1-3-12(15)10-17/h12-13,16,19H,1-11H2
InChIKeyNBADEVILIFOJBQ-UHFFFAOYSA-N
XLogP0.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone (CID 81102917) is 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone is O=C(CC1COCCN1)N1CCC2(O)CCCCC2C1.
What is the InChIKey of 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone?
The InChIKey is NBADEVILIFOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(9-13-11-20-8-6-16-13)17-7-5-15(19)4-2-1-3-12(15)10-17/h12-13,16,19H,1-11H2.
What are the key properties of 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone?
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone has a molecular weight of 282.38 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 81102917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).