1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone

C15H22FN3O — CID 43251243

IUPAC1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESNCCCN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O/c16-14-5-2-1-4-13(14)12-15(20)19-10-8-18(9-11-19)7-3-6-17/h1-2,4-5H,3,6-12,17H2
InChIKeyJIZUNMIBJOGZHJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.86
Rot. Bonds5

About 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone

1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 43251243) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID43251243
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESNCCCN1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O/c16-14-5-2-1-4-13(14)12-15(20)19-10-8-18(9-11-19)7-3-6-17/h1-2,4-5H,3,6-12,17H2
InChIKeyJIZUNMIBJOGZHJ-UHFFFAOYSA-N
XLogP0.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
2-(2-fluorophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 6468034
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413324
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075178
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (CID 43251243) is 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is NCCCN1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is JIZUNMIBJOGZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-14-5-2-1-4-13(14)12-15(20)19-10-8-18(9-11-19)7-3-6-17/h1-2,4-5H,3,6-12,17H2.
What are the key properties of 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 279.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 43251243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).