1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane

C16H33NO3 — CID 158958248

IUPAC1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane
SMILESC.CC1CN(CC(O)COC2CCCCC2)CC(C)O1
InChIInChI=1S/C15H29NO3.CH4/c1-12-8-16(9-13(2)19-12)10-14(17)11-18-15-6-4-3-5-7-15;/h12-15,17H,3-11H2,1-2H3;1H4
InChIKeyJMHCAQJORDONKA-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.44
Rot. Bonds5

About 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane

1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane (PubChem CID 158958248) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane
PubChem CID158958248
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane
SMILESC.CC1CN(CC(O)COC2CCCCC2)CC(C)O1
InChIInChI=1S/C15H29NO3.CH4/c1-12-8-16(9-13(2)19-12)10-14(17)11-18-15-6-4-3-5-7-15;/h12-15,17H,3-11H2,1-2H3;1H4
InChIKeyJMHCAQJORDONKA-UHFFFAOYSA-N
XLogP2.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propanol, 1-cyclohexyloxy-(1-piperidyl)-
CID 566776
1-(Cyclohexyloxy)-3-(2,6-dimethyl-4-morpholinyl)-2-propanol hydrochloride
CID 18592780
3-(Cyclopentyloxy)-1-(2,6-dimethyl-4-morpholinyl)-2-propanol
CID 16876977
1-(Cyclohexyloxy)-3-(2,6-dimethylmorpholino)propan-2-ol hydrochloride
CID 18592779
3-Cyclohexyloxy-1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazinyl]propan-2-ol
CID 3130416
1-Dibutylamino-3-(6-hydroxy hexyl-oxy)-2-propanol
CID 85708594
1-(Diethylamino)-3-[6-[3-(diethylamino)-2-hydroxypropoxy]hexoxy]propan-2-ol
CID 109311
[1-(2-Ethoxy-3-hexadecoxypropyl)piperidin-1-ium-1-yl]methanol
CID 44278502
1-Cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 18592783
1-Cyclohexyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 44782533
1-Cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 44782553
1-Cyclohexyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 44782589

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane?
The IUPAC name of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane (CID 158958248) is 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane.
What is the SMILES notation for 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane?
The canonical SMILES for 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane is C.CC1CN(CC(O)COC2CCCCC2)CC(C)O1.
What is the InChIKey of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane?
The InChIKey is JMHCAQJORDONKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.CH4/c1-12-8-16(9-13(2)19-12)10-14(17)11-18-15-6-4-3-5-7-15;/h12-15,17H,3-11H2,1-2H3;1H4.
What are the key properties of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane?
1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane has a molecular weight of 287.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane is sourced from PubChem (CID 158958248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).