[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol

C13H19NO2 — CID 124512761

IUPAC[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
SMILESC[C@H]1CO[C@H](CO)CN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11-10-16-13(9-15)8-14(11)7-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyNFCNFNOOTWGKSR-AAEUAGOBSA-N
MW221.30 g/mol
LogP1.27
Rot. Bonds3

About [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol

[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol (PubChem CID 124512761) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
PubChem CID124512761
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
SMILESC[C@H]1CO[C@H](CO)CN1Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-11-10-16-13(9-15)8-14(11)7-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyNFCNFNOOTWGKSR-AAEUAGOBSA-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

4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
CID 146573821
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
CID 81204463
[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
CID 97153592
[5-methyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81213298
[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
CID 97153639
N-benzyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylacetamide
CID 81208632
4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208031

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol (CID 124512761) is [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol is C[C@H]1CO[C@H](CO)CN1Cc1ccccc1.
What is the InChIKey of [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is NFCNFNOOTWGKSR-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-11-10-16-13(9-15)8-14(11)7-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of [(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol?
[(2S,5S)-4-benzyl-5-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,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 124512761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).