4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol

C17H33NO3 — CID 102936492

IUPAC4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCC1CN(CC2CC(C(C)(C)C)CCC2O)CC(CO)O1
InChIInChI=1S/C17H33NO3/c1-12-8-18(10-15(11-19)21-12)9-13-7-14(17(2,3)4)5-6-16(13)20/h12-16,19-20H,5-11H2,1-4H3
InChIKeyYUGGXFMWWQXAEQ-UHFFFAOYSA-N
MW299.45 g/mol
LogP1.89
Rot. Bonds3

About 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol (PubChem CID 102936492) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol
PubChem CID102936492
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCC1CN(CC2CC(C(C)(C)C)CCC2O)CC(CO)O1
InChIInChI=1S/C17H33NO3/c1-12-8-18(10-15(11-19)21-12)9-13-7-14(17(2,3)4)5-6-16(13)20/h12-16,19-20H,5-11H2,1-4H3
InChIKeyYUGGXFMWWQXAEQ-UHFFFAOYSA-N
XLogP1.89
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(3-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2867132
1-[(4-Tert-butylcyclohexyl)oxy]-3-(2,6-dimethyl-1-piperidinyl)-2-propanol hydrochloride
CID 2882278
CID 16196094
CID 16196094
1-(2-Methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 16241438
1-(3,5-Dimethylpiperidin-1-yl)-3-[(3,3,5-trimethylcyclohexyl)oxy]propan-2-ol
CID 23723107
1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2769749
1-(4-Tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2882591
1-(4-Morpholinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol hydrochloride
CID 2892832
1-(4-Methylpiperidin-1-yl)-3-[(3,3,5-trimethylcyclohexyl)oxy]propan-2-ol
CID 2892386
1-(4-Tert-butylcyclohexyl)oxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2882279
1-[(2-Isopropyl-5-methylcyclohexyl)oxy]-3-(4-morpholinyl)-2-propanol hydrochloride
CID 2769746
1-(2,6-Dimethylpiperidin-1-yl)-3-((2-isopropyl-5-methylcyclohexyl)oxy)propan-2-ol
CID 2870295

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol (CID 102936492) is 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol is CC1CN(CC2CC(C(C)(C)C)CCC2O)CC(CO)O1.
What is the InChIKey of 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol?
The InChIKey is YUGGXFMWWQXAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-12-8-18(10-15(11-19)21-12)9-13-7-14(17(2,3)4)5-6-16(13)20/h12-16,19-20H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol has a molecular weight of 299.45 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 102936492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).