(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride

C14H22Cl2FN3O2 — CID 119888914

IUPAC(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C14H20FN3O2.2ClH/c1-10(16)14(19)18-7-5-17(6-8-18)12-4-3-11(15)9-13(12)20-2;;/h3-4,9-10H,5-8,16H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyPRKKQQXTIMPZKZ-YQFADDPSSA-N
MW354.25 g/mol
LogP1.67
Rot. Bonds3

About (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride

(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119888914) has the molecular formula C14H22Cl2FN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119888914
Molecular FormulaC14H22Cl2FN3O2
Molecular Weight354.25 g/mol
Exact Mass353.11
IUPAC Name(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCOc1cc(F)ccc1N1CCN(C(=O)[C@@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C14H20FN3O2.2ClH/c1-10(16)14(19)18-7-5-17(6-8-18)12-4-3-11(15)9-13(12)20-2;;/h3-4,9-10H,5-8,16H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyPRKKQQXTIMPZKZ-YQFADDPSSA-N
XLogP1.67
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504044
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119888904
(2R)-2-amino-1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120873636
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538787
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953957
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 119833164
2-(4-aminophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888892
(1-aminocyclopentyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 119888907
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
(3-aminophenyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888924

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119888914) is (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride is COc1cc(F)ccc1N1CCN(C(=O)[C@@H](C)N)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is PRKKQQXTIMPZKZ-YQFADDPSSA-N. The full InChI is InChI=1S/C14H20FN3O2.2ClH/c1-10(16)14(19)18-7-5-17(6-8-18)12-4-3-11(15)9-13(12)20-2;;/h3-4,9-10H,5-8,16H2,1-2H3;2*1H/t10-;;/m1../s1.
What are the key properties of (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 354.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119888914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).