[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone

C15H20N2O2 — CID 106774300

IUPAC[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O2/c1-11-10-19-7-6-17(11)15(18)14-8-12-4-2-3-5-13(12)9-16-14/h2-5,11,14,16H,6-10H2,1H3/t11-,14+/m1/s1
InChIKeyGELDOKMOGSAKCZ-RISCZKNCSA-N
MW260.34 g/mol
LogP0.95
Rot. Bonds1

About [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone

[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (PubChem CID 106774300) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
PubChem CID106774300
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O2/c1-11-10-19-7-6-17(11)15(18)14-8-12-4-2-3-5-13(12)9-16-14/h2-5,11,14,16H,6-10H2,1H3/t11-,14+/m1/s1
InChIKeyGELDOKMOGSAKCZ-RISCZKNCSA-N
XLogP0.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The IUPAC name of [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (CID 106774300) is [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone.
What is the SMILES notation for [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The canonical SMILES for [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone is C[C@@H]1COCCN1C(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The InChIKey is GELDOKMOGSAKCZ-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-10-19-7-6-17(11)15(18)14-8-12-4-2-3-5-13(12)9-16-14/h2-5,11,14,16H,6-10H2,1H3/t11-,14+/m1/s1.
What are the key properties of [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
[(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylmorpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone is sourced from PubChem (CID 106774300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).