[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol

C13H19NO2 — CID 169228655

IUPAC[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
SMILESC[C@@]1(CO)CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H19NO2/c1-13(11-15)10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3/t13-/m0/s1
InChIKeyVKIVGIAXHXRKOC-ZDUSSCGKSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds3

About [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol

[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol (PubChem CID 169228655) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
PubChem CID169228655
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
SMILESC[C@@]1(CO)CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H19NO2/c1-13(11-15)10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3/t13-/m0/s1
InChIKeyVKIVGIAXHXRKOC-ZDUSSCGKSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane
CID 92858965
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
3-benzyl-6,6-dimethyl-1,3-oxazinane
CID 129106291
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
CID 124945933

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol?
The IUPAC name of [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol (CID 169228655) is [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol is C[C@@]1(CO)CN(Cc2ccccc2)CCO1.
What is the InChIKey of [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol?
The InChIKey is VKIVGIAXHXRKOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(11-15)10-14(7-8-16-13)9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol?
[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 169228655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).