[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium

C18H32N2O2+2 — CID 8006727

IUPAC[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium
SMILESCC(C)c1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H30N2O2/c1-15(2)17-5-3-16(4-6-17)7-8-19-13-18(21)14-20-9-11-22-12-10-20/h3-6,15,18-19,21H,7-14H2,1-2H3/p+2/t18-/m1/s1
InChIKeyIXVMTCIAKXMVRW-GOSISDBHSA-P
MW308.47 g/mol
LogP-0.81
Rot. Bonds8

About [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium

[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium (PubChem CID 8006727) has the molecular formula C18H32N2O2+2 and a molecular weight of 308.47 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium
PubChem CID8006727
Molecular FormulaC18H32N2O2+2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium
SMILESCC(C)c1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C18H30N2O2/c1-15(2)17-5-3-16(4-6-17)7-8-19-13-18(21)14-20-9-11-22-12-10-20/h3-6,15,18-19,21H,7-14H2,1-2H3/p+2/t18-/m1/s1
InChIKeyIXVMTCIAKXMVRW-GOSISDBHSA-P
XLogP-0.81
TPSA50.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
CID 7047424
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
4-[(2R)-2-phenylpropyl]morpholin-4-ium
CID 6938323
(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 8006726
2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride
CID 44657221
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]azanium
CID 8852878

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium?
The IUPAC name of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium (CID 8006727) is [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium?
The canonical SMILES for [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium is CC(C)c1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCOCC2)cc1.
What is the InChIKey of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium?
The InChIKey is IXVMTCIAKXMVRW-GOSISDBHSA-P. The full InChI is InChI=1S/C18H30N2O2/c1-15(2)17-5-3-16(4-6-17)7-8-19-13-18(21)14-20-9-11-22-12-10-20/h3-6,15,18-19,21H,7-14H2,1-2H3/p+2/t18-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium?
[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium has a molecular weight of 308.47 g/mol, XLogP of -0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[2-(4-propan-2-ylphenyl)ethyl]azanium is sourced from PubChem (CID 8006727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).