(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol

C16H26NO3+ — CID 7047424

IUPAC(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25NO3/c1-2-3-14-4-6-16(7-5-14)20-13-15(18)12-17-8-10-19-11-9-17/h4-7,15,18H,2-3,8-13H2,1H3/p+1/t15-/m0/s1
InChIKeyYDDGZHHBYJLSQL-HNNXBMFYSA-O
MW280.39 g/mol
LogP0.29
Rot. Bonds7

About (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol

(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol (PubChem CID 7047424) has the molecular formula C16H26NO3+ and a molecular weight of 280.39 g/mol. Its IUPAC name is (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
PubChem CID7047424
Molecular FormulaC16H26NO3+
Molecular Weight280.39 g/mol
Exact Mass280.19
IUPAC Name(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25NO3/c1-2-3-14-4-6-16(7-5-14)20-13-15(18)12-17-8-10-19-11-9-17/h4-7,15,18H,2-3,8-13H2,1H3/p+1/t15-/m0/s1
InChIKeyYDDGZHHBYJLSQL-HNNXBMFYSA-O
XLogP0.29
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
N-[4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]acetamide
CID 7263214
(2S)-1-(4-propylphenoxy)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propan-2-ol
CID 2195988
1-(4-ethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 4743198
(2S)-1-(4-propylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol
CID 2131436
(2S)-1-(4-ethylphenoxy)-3-(4-methylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 2046208
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 11909069
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6945083
1-[4-(1-adamantyl)phenoxy]-3-morpholin-4-ium-4-ylpropan-2-ol
CID 3980243
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
(2S)-1-(4-ethylphenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol
CID 7386839

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol (CID 7047424) is (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1.
What is the InChIKey of (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is YDDGZHHBYJLSQL-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H25NO3/c1-2-3-14-4-6-16(7-5-14)20-13-15(18)12-17-8-10-19-11-9-17/h4-7,15,18H,2-3,8-13H2,1H3/p+1/t15-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol?
(2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-ium-4-yl-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 7047424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).