(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride

C13H20Cl2FN3O — CID 119827006

IUPAC(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@H](N)C(=O)N1CCN(c2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C13H18FN3O.2ClH/c1-10(15)13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14;;/h2-5,10H,6-9,15H2,1H3;2*1H/t10-;;/m0../s1
InChIKeyIREHVIVSIQYXLL-XRIOVQLTSA-N
MW324.23 g/mol
LogP1.67
Rot. Bonds2

About (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride

(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119827006) has the molecular formula C13H20Cl2FN3O and a molecular weight of 324.23 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119827006
Molecular FormulaC13H20Cl2FN3O
Molecular Weight324.23 g/mol
Exact Mass323.10
IUPAC Name(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESC[C@H](N)C(=O)N1CCN(c2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C13H18FN3O.2ClH/c1-10(15)13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14;;/h2-5,10H,6-9,15H2,1H3;2*1H/t10-;;/m0../s1
InChIKeyIREHVIVSIQYXLL-XRIOVQLTSA-N
XLogP1.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-one
CID 28933878
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(2R)-2-amino-1-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119306879
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
(2R)-2-amino-1-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 78973438
(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120873636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119827006) is (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride is C[C@H](N)C(=O)N1CCN(c2ccccc2F)CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is IREHVIVSIQYXLL-XRIOVQLTSA-N. The full InChI is InChI=1S/C13H18FN3O.2ClH/c1-10(15)13(18)17-8-6-16(7-9-17)12-5-3-2-4-11(12)14;;/h2-5,10H,6-9,15H2,1H3;2*1H/t10-;;/m0../s1.
What are the key properties of (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 324.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119827006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).