2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone

C16H23FN2O — CID 60590521

IUPAC2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O/c1-13(2)12-18-7-9-19(10-8-18)16(20)11-14-5-3-4-6-15(14)17/h3-6,13H,7-12H2,1-2H3
InChIKeySRPUBYQEKDHAJU-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 60590521) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID60590521
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H23FN2O/c1-13(2)12-18-7-9-19(10-8-18)16(20)11-14-5-3-4-6-15(14)17/h3-6,13H,7-12H2,1-2H3
InChIKeySRPUBYQEKDHAJU-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 110908152
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879
2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468034
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 43251243
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
1-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]propan-1-one
CID 112536906
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075631
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone (CID 60590521) is 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone is CC(C)CN1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is SRPUBYQEKDHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-13(2)12-18-7-9-19(10-8-18)16(20)11-14-5-3-4-6-15(14)17/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 278.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60590521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).