[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone

C16H21FN2O2 — CID 60963365

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c17-14-5-3-12(4-6-14)15-11-19(8-9-21-15)16(20)13-2-1-7-18-10-13/h3-6,13,15,18H,1-2,7-11H2
InChIKeyYDFLUXHYDSUFMZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.73
Rot. Bonds2

About [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone

[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone (PubChem CID 60963365) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
PubChem CID60963365
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c17-14-5-3-12(4-6-14)15-11-19(8-9-21-15)16(20)13-2-1-7-18-10-13/h3-6,13,15,18H,1-2,7-11H2
InChIKeyYDFLUXHYDSUFMZ-UHFFFAOYSA-N
XLogP1.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119315643
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119112320
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119318503
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 94005516
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072
(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95569973
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone (CID 60963365) is [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
The InChIKey is YDFLUXHYDSUFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-5-3-12(4-6-14)15-11-19(8-9-21-15)16(20)13-2-1-7-18-10-13/h3-6,13,15,18H,1-2,7-11H2.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone?
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone has a molecular weight of 292.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 60963365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).