1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine

C15H23FN2O2 — CID 171168476

IUPAC1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
SMILESCOc1cccc([C@@H](CCF)N2CCNCC2)c1OC
InChIInChI=1S/C15H23FN2O2/c1-19-14-5-3-4-12(15(14)20-2)13(6-7-16)18-10-8-17-9-11-18/h3-5,13,17H,6-11H2,1-2H3/t13-/m1/s1
InChIKeyIQUMUUPMHKRYHC-CYBMUJFWSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds6

About 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine

1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine (PubChem CID 171168476) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
PubChem CID171168476
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
SMILESCOc1cccc([C@@H](CCF)N2CCNCC2)c1OC
InChIInChI=1S/C15H23FN2O2/c1-19-14-5-3-4-12(15(14)20-2)13(6-7-16)18-10-8-17-9-11-18/h3-5,13,17H,6-11H2,1-2H3/t13-/m1/s1
InChIKeyIQUMUUPMHKRYHC-CYBMUJFWSA-N
XLogP2.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
2-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol;hydrochloride
CID 171167951
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171287847
1-[(1R)-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171286917
1-[(1R)-1-(3-fluoro-2-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310774

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine (CID 171168476) is 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine is COc1cccc([C@@H](CCF)N2CCNCC2)c1OC.
What is the InChIKey of 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine?
The InChIKey is IQUMUUPMHKRYHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-19-14-5-3-4-12(15(14)20-2)13(6-7-16)18-10-8-17-9-11-18/h3-5,13,17H,6-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine?
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine has a molecular weight of 282.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine is sourced from PubChem (CID 171168476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).