1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone

C15H21FN2O — CID 67532992

IUPAC1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone
SMILESCCCN1CCN(c2cccc(C(C)=O)c2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-7-17-8-10-18(11-9-17)14-6-4-5-13(12(2)19)15(14)16/h4-6H,3,7-11H2,1-2H3
InChIKeyNMYPFMBHOWWEGJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.56
Rot. Bonds4

About 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone

1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone (PubChem CID 67532992) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone
PubChem CID67532992
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone
SMILESCCCN1CCN(c2cccc(C(C)=O)c2F)CC1
InChIInChI=1S/C15H21FN2O/c1-3-7-17-8-10-18(11-9-17)14-6-4-5-13(12(2)19)15(14)16/h4-6H,3,7-11H2,1-2H3
InChIKeyNMYPFMBHOWWEGJ-UHFFFAOYSA-N
XLogP2.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetyl-6-(4-propylpiperazin-1-yl)benzonitrile
CID 67532630
2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]benzoic acid
CID 15289956
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160
1-[3-(4-hexylpiperazin-1-yl)-2-prop-1-en-2-ylphenyl]ethanone
CID 168902831
2-acetyl-6-(4-ethylpiperazin-1-yl)benzonitrile
CID 67532887
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
4-(4-propylpiperazin-1-yl)-1-benzothiophene-2-carboxylic acid
CID 57323023
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
3-acetyl-2-fluorobenzoic acid
CID 83410719
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone (CID 67532992) is 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone is CCCN1CCN(c2cccc(C(C)=O)c2F)CC1.
What is the InChIKey of 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone?
The InChIKey is NMYPFMBHOWWEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-7-17-8-10-18(11-9-17)14-6-4-5-13(12(2)19)15(14)16/h4-6H,3,7-11H2,1-2H3.
What are the key properties of 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone?
1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone has a molecular weight of 264.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 67532992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).