4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine

C14H20N2O2 — CID 9169145

IUPAC4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
SMILESCOc1cccc2c1[C@@H](N1CCOCC1)CNC2
InChIInChI=1S/C14H20N2O2/c1-17-13-4-2-3-11-9-15-10-12(14(11)13)16-5-7-18-8-6-16/h2-4,12,15H,5-10H2,1H3/t12-/m0/s1
InChIKeyVKFARESZKLWFLJ-LBPRGKRZSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds2

About 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine

4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (PubChem CID 9169145) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
PubChem CID9169145
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
SMILESCOc1cccc2c1[C@@H](N1CCOCC1)CNC2
InChIInChI=1S/C14H20N2O2/c1-17-13-4-2-3-11-9-15-10-12(14(11)13)16-5-7-18-8-6-16/h2-4,12,15H,5-10H2,1H3/t12-/m0/s1
InChIKeyVKFARESZKLWFLJ-LBPRGKRZSA-N
XLogP1.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The IUPAC name of 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (CID 9169145) is 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The canonical SMILES for 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine is COc1cccc2c1[C@@H](N1CCOCC1)CNC2.
What is the InChIKey of 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The InChIKey is VKFARESZKLWFLJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-13-4-2-3-11-9-15-10-12(14(11)13)16-5-7-18-8-6-16/h2-4,12,15H,5-10H2,1H3/t12-/m0/s1.
What are the key properties of 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine has a molecular weight of 248.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine is sourced from PubChem (CID 9169145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).