[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone

C16H21FN2O2 — CID 110293021

IUPAC[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCO2)CC1c1ccccc1F
InChIInChI=1S/C16H21FN2O2/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,14-15H,4,7-11H2,1H3
InChIKeyAINFSSQYLMEDQI-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.82
Rot. Bonds2

About [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone

[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110293021) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110293021
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCO2)CC1c1ccccc1F
InChIInChI=1S/C16H21FN2O2/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,14-15H,4,7-11H2,1H3
InChIKeyAINFSSQYLMEDQI-UHFFFAOYSA-N
XLogP1.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293371
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbut-2-en-1-one
CID 110310478
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110293076
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
3-(2-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797569
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 110293021) is [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone is CN1CCN(C(=O)C2CCCO2)CC1c1ccccc1F.
What is the InChIKey of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is AINFSSQYLMEDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-3,5-6,14-15H,4,7-11H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 292.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110293021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).