1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride

C14H22ClNO3 — CID 44657221

IUPAC1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride
SMILESOC(COCc1ccccc1)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C14H21NO3.ClH/c16-14(10-15-6-8-17-9-7-15)12-18-11-13-4-2-1-3-5-13;/h1-5,14,16H,6-12H2;1H
InChIKeyIIKTVOPAHYMQQR-UHFFFAOYSA-N
MW287.79 g/mol
LogP-3.52
Rot. Bonds6

About 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride

1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride (PubChem CID 44657221) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride.

Molecular Properties

Compound Name1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride
PubChem CID44657221
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride
SMILESOC(COCc1ccccc1)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C14H21NO3.ClH/c16-14(10-15-6-8-17-9-7-15)12-18-11-13-4-2-1-3-5-13;/h1-5,14,16H,6-12H2;1H
InChIKeyIIKTVOPAHYMQQR-UHFFFAOYSA-N
XLogP-3.52
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 5-3.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7371555
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 4745271
4-(2-hydroxy-3-phenylmethoxypropyl)oxane-4-carboxylic acid
CID 79422847
1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 4753659
CID 172760983
CID 172760983
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
CID 81133438
1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
CID 7187819
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 7441747

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride?
The IUPAC name of 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride (CID 44657221) is 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride.
What is the SMILES notation for 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride?
The canonical SMILES for 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride is OC(COCc1ccccc1)C[NH+]1CCOCC1.[Cl-].
What is the InChIKey of 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride?
The InChIKey is IIKTVOPAHYMQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c16-14(10-15-6-8-17-9-7-15)12-18-11-13-4-2-1-3-5-13;/h1-5,14,16H,6-12H2;1H.
What are the key properties of 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride?
1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride has a molecular weight of 287.79 g/mol, XLogP of -3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride is sourced from PubChem (CID 44657221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).