4-[(2R)-2-phenylpropyl]morpholin-4-ium

C13H20NO+ — CID 6938323

IUPAC4-[(2R)-2-phenylpropyl]morpholin-4-ium
SMILESC[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c1-12(13-5-3-2-4-6-13)11-14-7-9-15-10-8-14/h2-6,12H,7-11H2,1H3/p+1/t12-/m0/s1
InChIKeyWRENTAXEJRYOTE-LBPRGKRZSA-O
MW206.31 g/mol
LogP0.71
Rot. Bonds3

About 4-[(2R)-2-phenylpropyl]morpholin-4-ium

4-[(2R)-2-phenylpropyl]morpholin-4-ium (PubChem CID 6938323) has the molecular formula C13H20NO+ and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-[(2R)-2-phenylpropyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(2R)-2-phenylpropyl]morpholin-4-ium
PubChem CID6938323
Molecular FormulaC13H20NO+
Molecular Weight206.31 g/mol
Exact Mass206.15
IUPAC Name4-[(2R)-2-phenylpropyl]morpholin-4-ium
SMILESC[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c1-12(13-5-3-2-4-6-13)11-14-7-9-15-10-8-14/h2-6,12H,7-11H2,1H3/p+1/t12-/m0/s1
InChIKeyWRENTAXEJRYOTE-LBPRGKRZSA-O
XLogP0.71
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3S)-3-phenylbutyl]morpholin-4-ium
CID 6938412
[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]azanium
CID 6927909
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845032
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844996
ethyl 1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxylate
CID 6962639
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
CID 8844908
3-morpholin-4-ium-4-yl-2-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 3326778
(1R,2S)-1-(4-butoxyphenyl)-3-morpholin-4-ium-4-yl-2-phenylpropan-1-ol
CID 7336125
3-methyl-4-morpholin-4-ium-4-yl-2,2-diphenylbutanoic acid sulfate
CID 139596391
N-benzyl-N-methyl-1-[(2R)-2-phenylpropyl]piperidin-1-ium-4-carboxamide
CID 6963551

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-phenylpropyl]morpholin-4-ium?
The IUPAC name of 4-[(2R)-2-phenylpropyl]morpholin-4-ium (CID 6938323) is 4-[(2R)-2-phenylpropyl]morpholin-4-ium.
What is the SMILES notation for 4-[(2R)-2-phenylpropyl]morpholin-4-ium?
The canonical SMILES for 4-[(2R)-2-phenylpropyl]morpholin-4-ium is C[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(2R)-2-phenylpropyl]morpholin-4-ium?
The InChIKey is WRENTAXEJRYOTE-LBPRGKRZSA-O. The full InChI is InChI=1S/C13H19NO/c1-12(13-5-3-2-4-6-13)11-14-7-9-15-10-8-14/h2-6,12H,7-11H2,1H3/p+1/t12-/m0/s1.
What are the key properties of 4-[(2R)-2-phenylpropyl]morpholin-4-ium?
4-[(2R)-2-phenylpropyl]morpholin-4-ium has a molecular weight of 206.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-phenylpropyl]morpholin-4-ium is sourced from PubChem (CID 6938323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).