[(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride

C6H14ClNO2 — CID 51357959

IUPAC[(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride
SMILESC[C@@H]1CO[C@H](CO)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5-4-9-6(3-8)2-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyANHSOVKVDCYFOR-IBTYICNHSA-N
MW167.64 g/mol
LogP-0.22
Rot. Bonds1

About [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride

[(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride (PubChem CID 51357959) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride
PubChem CID51357959
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name[(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride
SMILESC[C@@H]1CO[C@H](CO)CN1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5-4-9-6(3-8)2-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyANHSOVKVDCYFOR-IBTYICNHSA-N
XLogP-0.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholin-2-ylmethanol
CID 3497988
(S)-morpholin-2-ylmethanol
CID 1512575
(2R)-morpholin-2-ylmethanol hydrochloride
CID 42614735
(R)-2-Hydroxymethylmorpholine
CID 6558857
1-(Morpholin-2-yl)ethan-1-ol
CID 17954199
(2R)-2-(methoxymethyl)morpholine hydrochloride
CID 53338716
(2S)-2-(methoxymethyl)morpholine hydrochloride
CID 53338717
(2R,3R)-2-methyl-3-Morpholinemethanol
CID 53338732
(2S)-morpholin-2-ylmethanol hydrochloride
CID 53483542
[(2R)-6,6-dimethylmorpholin-2-yl]methanol hydrochloride
CID 71742807
((2S)-6,6-dimethylmorpholin-2-yl)methanol hydrochloride
CID 71742811
(6,6-Dimethylmorpholin-2-yl)methanol
CID 71742815

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride (CID 51357959) is [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride is C[C@@H]1CO[C@H](CO)CN1.Cl.
What is the InChIKey of [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride?
The InChIKey is ANHSOVKVDCYFOR-IBTYICNHSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-5-4-9-6(3-8)2-7-5;/h5-8H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride?
[(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-methylmorpholin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 51357959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).