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

C16H22FN3O2 — CID 120937671

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c1-12-15(18-6-11-22-12)16(21)20-9-7-19(8-10-20)14-5-3-2-4-13(14)17/h2-5,12,15,18H,6-11H2,1H3/t12-,15+/m1/s1
InChIKeyZJOKZYNFZZXTHH-DOMZBBRYSA-N
MW307.37 g/mol
LogP0.85
Rot. Bonds2

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

[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120937671) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120937671
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c1-12-15(18-6-11-22-12)16(21)20-9-7-19(8-10-20)14-5-3-2-4-13(14)17/h2-5,12,15,18H,6-11H2,1H3/t12-,15+/m1/s1
InChIKeyZJOKZYNFZZXTHH-DOMZBBRYSA-N
XLogP0.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938012
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120938074
1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 120924844
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120920722
[(2R,3S)-2-methylmorpholin-3-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938057
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120939908
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;dihydrochloride
CID 120942147
(2,5-difluorophenyl)-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]methanone
CID 120925889

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120937671) is [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is ZJOKZYNFZZXTHH-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-12-15(18-6-11-22-12)16(21)20-9-7-19(8-10-20)14-5-3-2-4-13(14)17/h2-5,12,15,18H,6-11H2,1H3/t12-,15+/m1/s1.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 307.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120937671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).