[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium

C12H20N2O+2 — CID 6927909

IUPAC[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium
SMILES[NH3+][C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C12H18N2O/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10,13H2/p+2/t12-/m0/s1
InChIKeyCLAGARRWBBUZDR-LBPRGKRZSA-P
MW208.31 g/mol
LogP-1.12
Rot. Bonds3

About [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium

[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium (PubChem CID 6927909) has the molecular formula C12H20N2O+2 and a molecular weight of 208.31 g/mol. Its IUPAC name is [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium
PubChem CID6927909
Molecular FormulaC12H20N2O+2
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium
SMILES[NH3+][C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C12H18N2O/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10,13H2/p+2/t12-/m0/s1
InChIKeyCLAGARRWBBUZDR-LBPRGKRZSA-P
XLogP-1.12
TPSA41.31 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium?
The IUPAC name of [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium (CID 6927909) is [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium.
What is the SMILES notation for [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium?
The canonical SMILES for [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium is [NH3+][C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium?
The InChIKey is CLAGARRWBBUZDR-LBPRGKRZSA-P. The full InChI is InChI=1S/C12H18N2O/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10,13H2/p+2/t12-/m0/s1.
What are the key properties of [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium?
[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium has a molecular weight of 208.31 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium is sourced from PubChem (CID 6927909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).