1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride

C15H25Cl2FN2O — CID 171287847

IUPAC1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cccc(F)c1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2O.2ClH/c1-3-5-14(18-10-8-17-9-11-18)12-6-4-7-13(16)15(12)19-2;;/h4,6-7,14,17H,3,5,8-11H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyJQCZFSMOLPGWDK-FMOMHUKBSA-N
MW339.28 g/mol
LogP3.42
Rot. Bonds5

About 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride (PubChem CID 171287847) has the molecular formula C15H25Cl2FN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
PubChem CID171287847
Molecular FormulaC15H25Cl2FN2O
Molecular Weight339.28 g/mol
Exact Mass338.13
IUPAC Name1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1cccc(F)c1OC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23FN2O.2ClH/c1-3-5-14(18-10-8-17-9-11-18)12-6-4-7-13(16)15(12)19-2;;/h4,6-7,14,17H,3,5,8-11H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeyJQCZFSMOLPGWDK-FMOMHUKBSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3-fluoro-2-methoxyphenyl)propyl]piperazine;dihydrochloride
CID 171287830
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310774
(2R)-2-(3-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174278
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482
2-fluoro-6-[(1S)-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171162750
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304391
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride (CID 171287847) is 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1cccc(F)c1OC)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride?
The InChIKey is JQCZFSMOLPGWDK-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H23FN2O.2ClH/c1-3-5-14(18-10-8-17-9-11-18)12-6-4-7-13(16)15(12)19-2;;/h4,6-7,14,17H,3,5,8-11H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride has a molecular weight of 339.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).