[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone

C13H21F4N3O2 — CID 120941906

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C13H21F4N3O2/c1-9-10(18-2-7-22-9)11(21)20-5-3-19(4-6-20)8-13(16,17)12(14)15/h9-10,12,18H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyIDVOXISFBTVCDG-ZJUUUORDSA-N
MW327.32 g/mol
LogP0.41
Rot. Bonds4

About [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone (PubChem CID 120941906) has the molecular formula C13H21F4N3O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
PubChem CID120941906
Molecular FormulaC13H21F4N3O2
Molecular Weight327.32 g/mol
Exact Mass327.16
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C13H21F4N3O2/c1-9-10(18-2-7-22-9)11(21)20-5-3-19(4-6-20)8-13(16,17)12(14)15/h9-10,12,18H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyIDVOXISFBTVCDG-ZJUUUORDSA-N
XLogP0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 120938815
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 120938500
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120940344
2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
CID 120942422
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 119887988
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120939291
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120937671
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
2-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]acetamide
CID 120924842

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone (CID 120941906) is [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The InChIKey is IDVOXISFBTVCDG-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H21F4N3O2/c1-9-10(18-2-7-22-9)11(21)20-5-3-19(4-6-20)8-13(16,17)12(14)15/h9-10,12,18H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone has a molecular weight of 327.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120941906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).