(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride

C15H22Cl2FN3O2 — CID 119836978

IUPAC(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)N)CC2)c(F)c1.Cl.Cl
InChIInChI=1S/C15H20FN3O2.2ClH/c1-10(17)15(21)19-7-5-18(6-8-19)14-4-3-12(11(2)20)9-13(14)16;;/h3-4,9-10H,5-8,17H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyMKDURMIHQAHEMZ-YQFADDPSSA-N
MW366.26 g/mol
LogP1.87
Rot. Bonds3

About (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride

(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride (PubChem CID 119836978) has the molecular formula C15H22Cl2FN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
PubChem CID119836978
Molecular FormulaC15H22Cl2FN3O2
Molecular Weight366.26 g/mol
Exact Mass365.11
IUPAC Name(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
SMILESCC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)N)CC2)c(F)c1.Cl.Cl
InChIInChI=1S/C15H20FN3O2.2ClH/c1-10(17)15(21)19-7-5-18(6-8-19)14-4-3-12(11(2)20)9-13(14)16;;/h3-4,9-10H,5-8,17H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyMKDURMIHQAHEMZ-YQFADDPSSA-N
XLogP1.87
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
N-[1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55435428
1-[4-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836968
(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120873636
1-[4-[4-(3-aminobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone;dihydrochloride
CID 119836988
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
[(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475916
1-[4-[4-(1,5-dimethylpyrrole-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 31668550
(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
CID 42954156
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119837006

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride?
The IUPAC name of (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride (CID 119836978) is (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride?
The canonical SMILES for (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride is CC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)N)CC2)c(F)c1.Cl.Cl.
What is the InChIKey of (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride?
The InChIKey is MKDURMIHQAHEMZ-YQFADDPSSA-N. The full InChI is InChI=1S/C15H20FN3O2.2ClH/c1-10(17)15(21)19-7-5-18(6-8-19)14-4-3-12(11(2)20)9-13(14)16;;/h3-4,9-10H,5-8,17H2,1-2H3;2*1H/t10-;;/m1../s1.
What are the key properties of (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride?
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride has a molecular weight of 366.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride is sourced from PubChem (CID 119836978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).