2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one

C13H18FN3O — CID 67792210

IUPAC2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
SMILESNC(CN1CCNCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c14-11-3-1-10(2-4-11)13(18)12(15)9-17-7-5-16-6-8-17/h1-4,12,16H,5-9,15H2
InChIKeyDYSGGAMRUUQVJJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.24
Rot. Bonds4

About 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one

2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 67792210) has the molecular formula C13H18FN3O and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID67792210
Molecular FormulaC13H18FN3O
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one
SMILESNC(CN1CCNCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c14-11-3-1-10(2-4-11)13(18)12(15)9-17-7-5-16-6-8-17/h1-4,12,16H,5-9,15H2
InChIKeyDYSGGAMRUUQVJJ-UHFFFAOYSA-N
XLogP0.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione
CID 56694067
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
4-amino-5-(4-fluorophenyl)-5-oxopentanoic acid
CID 82348060
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
1-(2,2-difluoroethyl)piperazine
CID 19622797
4-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 24701378
1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one
CID 58514207

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one (CID 67792210) is 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one is NC(CN1CCNCC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is DYSGGAMRUUQVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-3-1-10(2-4-11)13(18)12(15)9-17-7-5-16-6-8-17/h1-4,12,16H,5-9,15H2.
What are the key properties of 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one?
2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 251.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 67792210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).