[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol

C15H21NO2 — CID 139343303

IUPAC[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)C[C@H](C2CC2)O1
InChIInChI=1S/C15H21NO2/c17-11-14-9-16(8-12-4-2-1-3-5-12)10-15(18-14)13-6-7-13/h1-5,13-15,17H,6-11H2/t14-,15+/m0/s1
InChIKeyWGWDPQAJYVALCP-LSDHHAIUSA-N
MW247.34 g/mol
LogP1.66
Rot. Bonds4

About [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol

[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol (PubChem CID 139343303) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
PubChem CID139343303
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)C[C@H](C2CC2)O1
InChIInChI=1S/C15H21NO2/c17-11-14-9-16(8-12-4-2-1-3-5-12)10-15(18-14)13-6-7-13/h1-5,13-15,17H,6-11H2/t14-,15+/m0/s1
InChIKeyWGWDPQAJYVALCP-LSDHHAIUSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
(2R,6S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-butyl-6-cyclopropylmorpholine
CID 155910754
[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol
CID 171374338
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-benzyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole
CID 72622975
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(3aS,9aS)-2-benzyl-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrole
CID 13307148
(1S,5S,8R)-3-benzyl-6-oxa-3-azabicyclo[3.2.1]octan-8-ol
CID 98010122
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol (CID 139343303) is [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol is OC[C@@H]1CN(Cc2ccccc2)C[C@H](C2CC2)O1.
What is the InChIKey of [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol?
The InChIKey is WGWDPQAJYVALCP-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21NO2/c17-11-14-9-16(8-12-4-2-1-3-5-12)10-15(18-14)13-6-7-13/h1-5,13-15,17H,6-11H2/t14-,15+/m0/s1.
What are the key properties of [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol?
[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol is sourced from PubChem (CID 139343303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).