2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone

C15H22FN3O — CID 61018397

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
SMILESCC(c1ccccc1F)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(20)19-9-7-17-8-10-19/h3-6,12,17H,7-11H2,1-2H3
InChIKeyZXAOJDIZPDKBJI-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.25
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone

2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 61018397) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID61018397
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
SMILESCC(c1ccccc1F)N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(20)19-9-7-17-8-10-19/h3-6,12,17H,7-11H2,1-2H3
InChIKeyZXAOJDIZPDKBJI-UHFFFAOYSA-N
XLogP1.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62977945
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 55837442
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
2-[methyl-[1-(3-methylphenyl)ethyl]amino]-1-piperazin-1-ylethanone
CID 61310486
2-[1-(4-ethylphenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61017886
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2,6-difluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967328
4-[1-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]ethyl]benzonitrile
CID 61018016

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone (CID 61018397) is 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone is CC(c1ccccc1F)N(C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is ZXAOJDIZPDKBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12(13-5-3-4-6-14(13)16)18(2)11-15(20)19-9-7-17-8-10-19/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone?
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 279.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61018397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).