1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride

C15H25Cl2FN2O3 — CID 171273557

IUPAC1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(OC)c([C@H](CF)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C15H23FN2O3.2ClH/c1-19-13-9-15(21-3)14(20-2)8-11(13)12(10-16)18-6-4-17-5-7-18;;/h8-9,12,17H,4-7,10H2,1-3H3;2*1H/t12-;;/m0../s1
InChIKeyOUSLBJSYDHOPOG-LTCKWSDVSA-N
MW371.28 g/mol
LogP2.47
Rot. Bonds6

About 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171273557) has the molecular formula C15H25Cl2FN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171273557
Molecular FormulaC15H25Cl2FN2O3
Molecular Weight371.28 g/mol
Exact Mass370.12
IUPAC Name1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCOc1cc(OC)c([C@H](CF)N2CCNCC2)cc1OC.Cl.Cl
InChIInChI=1S/C15H23FN2O3.2ClH/c1-19-13-9-15(21-3)14(20-2)8-11(13)12(10-16)18-6-4-17-5-7-18;;/h8-9,12,17H,4-7,10H2,1-3H3;2*1H/t12-;;/m0../s1
InChIKeyOUSLBJSYDHOPOG-LTCKWSDVSA-N
XLogP2.47
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-3,3,3-trifluoro-1-(2,4,5-trimethoxyphenyl)propyl]piperazine
CID 171163041
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
(3R)-3-piperazin-1-yl-3-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 171189008
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171307378
2,3-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296298
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethyl]piperazine
CID 171181757
1-[(1S)-2,2-dimethyl-1-(2,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273581
1-[(1S)-2,2-difluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286184
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295369
1-[(1R)-2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;hydrochloride
CID 171178546
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182531

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171273557) is 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride is COc1cc(OC)c([C@H](CF)N2CCNCC2)cc1OC.Cl.Cl.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is OUSLBJSYDHOPOG-LTCKWSDVSA-N. The full InChI is InChI=1S/C15H23FN2O3.2ClH/c1-19-13-9-15(21-3)14(20-2)8-11(13)12(10-16)18-6-4-17-5-7-18;;/h8-9,12,17H,4-7,10H2,1-3H3;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 371.28 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171273557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).