1-(4-methylmorpholin-2-yl)ethanol;hydrate

C7H17NO3 — CID 173248751

IUPAC1-(4-methylmorpholin-2-yl)ethanol;hydrate
SMILESCC(O)C1CN(C)CCO1.O
InChIInChI=1S/C7H15NO2.H2O/c1-6(9)7-5-8(2)3-4-10-7;/h6-7,9H,3-5H2,1-2H3;1H2
InChIKeyICRSYIVIXWWOHX-UHFFFAOYSA-N
MW163.22 g/mol
LogP-1.13
Rot. Bonds1

About 1-(4-methylmorpholin-2-yl)ethanol;hydrate

1-(4-methylmorpholin-2-yl)ethanol;hydrate (PubChem CID 173248751) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)ethanol;hydrate.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)ethanol;hydrate
PubChem CID173248751
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name1-(4-methylmorpholin-2-yl)ethanol;hydrate
SMILESCC(O)C1CN(C)CCO1.O
InChIInChI=1S/C7H15NO2.H2O/c1-6(9)7-5-8(2)3-4-10-7;/h6-7,9H,3-5H2,1-2H3;1H2
InChIKeyICRSYIVIXWWOHX-UHFFFAOYSA-N
XLogP-1.13
TPSA64.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
3-methyl-1-(4-methylmorpholin-2-yl)pentan-1-ol
CID 79087186
(4-methylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
CID 79087190
2-(dichloromethyl)-4-methylmorpholine
CID 139654530
4-methyl-2-(1-propan-2-yloxyethyl)morpholine
CID 169201723
4,4-dimethyl-1-(4-methylmorpholin-2-yl)pentan-1-ol
CID 79087851
2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-amine
CID 107896693
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanol
CID 79087571
N,2-dimethyl-1-(4-methylmorpholin-2-yl)propan-1-amine
CID 79093634
ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
CID 177158594
4-methylmorpholin-2-ol;hydrate
CID 175404438

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)ethanol;hydrate?
The IUPAC name of 1-(4-methylmorpholin-2-yl)ethanol;hydrate (CID 173248751) is 1-(4-methylmorpholin-2-yl)ethanol;hydrate.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)ethanol;hydrate?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)ethanol;hydrate is CC(O)C1CN(C)CCO1.O.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)ethanol;hydrate?
The InChIKey is ICRSYIVIXWWOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.H2O/c1-6(9)7-5-8(2)3-4-10-7;/h6-7,9H,3-5H2,1-2H3;1H2.
What are the key properties of 1-(4-methylmorpholin-2-yl)ethanol;hydrate?
1-(4-methylmorpholin-2-yl)ethanol;hydrate has a molecular weight of 163.22 g/mol, XLogP of -1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)ethanol;hydrate is sourced from PubChem (CID 173248751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).