1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol

C19H26NO3+ — CID 4137273

IUPAC1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCC1C[NH+](CC(O)COc2ccc3ccccc3c2)CC(C)O1
InChIInChI=1S/C19H25NO3/c1-14-10-20(11-15(2)23-14)12-18(21)13-22-19-8-7-16-5-3-4-6-17(16)9-19/h3-9,14-15,18,21H,10-13H2,1-2H3/p+1
InChIKeyONKTVYGKKCZWNY-UHFFFAOYSA-O
MW316.42 g/mol
LogP1.27
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol

1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 4137273) has the molecular formula C19H26NO3+ and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID4137273
Molecular FormulaC19H26NO3+
Molecular Weight316.42 g/mol
Exact Mass316.19
IUPAC Name1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCC1C[NH+](CC(O)COc2ccc3ccccc3c2)CC(C)O1
InChIInChI=1S/C19H25NO3/c1-14-10-20(11-15(2)23-14)12-18(21)13-22-19-8-7-16-5-3-4-6-17(16)9-19/h3-9,14-15,18,21H,10-13H2,1-2H3/p+1
InChIKeyONKTVYGKKCZWNY-UHFFFAOYSA-O
XLogP1.27
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 7428257
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 6937831
1-[4-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7099223
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
7-[3-(2,6-dimethylmorpholin-4-ium-4-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 4107191
7-[(2S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 7223064
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 7022193
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 7178989
3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9410455
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 4137276
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol
CID 7165345
[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone
CID 7126450

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol (CID 4137273) is 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol is CC1C[NH+](CC(O)COc2ccc3ccccc3c2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is ONKTVYGKKCZWNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25NO3/c1-14-10-20(11-15(2)23-14)12-18(21)13-22-19-8-7-16-5-3-4-6-17(16)9-19/h3-9,14-15,18,21H,10-13H2,1-2H3/p+1.
What are the key properties of 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 316.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 4137273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).