[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

C15H20FN3O2 — CID 110869127

IUPAC[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H20FN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2
InChIKeyYYDBMXUSLRGNKZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.40
Rot. Bonds1

About [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 110869127) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID110869127
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C15H20FN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2
InChIKeyYYDBMXUSLRGNKZ-UHFFFAOYSA-N
XLogP1.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97451949
1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110869101
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
4-(3-fluorophenyl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 136559164

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 110869127) is [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YYDBMXUSLRGNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2.
What are the key properties of [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 293.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110869127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).