[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

C19H28FN3O2 — CID 95619724

IUPAC[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(F)ccc2N2CCN(C)CC2)CC(C)(C)O1
InChIInChI=1S/C19H28FN3O2/c1-14-12-23(13-19(2,3)25-14)18(24)16-11-15(20)5-6-17(16)22-9-7-21(4)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3/t14-/m1/s1
InChIKeyJTHHAZUGAWRRTD-CQSZACIVSA-N
MW349.45 g/mol
LogP2.22
Rot. Bonds2

About [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone

[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 95619724) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID95619724
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(F)ccc2N2CCN(C)CC2)CC(C)(C)O1
InChIInChI=1S/C19H28FN3O2/c1-14-12-23(13-19(2,3)25-14)18(24)16-11-15(20)5-6-17(16)22-9-7-21(4)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3/t14-/m1/s1
InChIKeyJTHHAZUGAWRRTD-CQSZACIVSA-N
XLogP2.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
(2-fluoro-5-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62511546
[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95239411
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(2-bromofuran-3-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 106853840
(5-amino-2-methylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone;hydrochloride
CID 120625558
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114781415
(2-hydrazinylphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62249835
5-methyl-2-(2,2,6-trimethylmorpholin-4-yl)benzoic acid
CID 55082932
thiophen-2-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48688223
[5-chloro-2-(methylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174797

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 95619724) is [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc(F)ccc2N2CCN(C)CC2)CC(C)(C)O1.
What is the InChIKey of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is JTHHAZUGAWRRTD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14-12-23(13-19(2,3)25-14)18(24)16-11-15(20)5-6-17(16)22-9-7-21(4)8-10-22/h5-6,11,14H,7-10,12-13H2,1-4H3/t14-/m1/s1.
What are the key properties of [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone?
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 349.45 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 95619724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).