1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride

C14H21BrClFN2O — CID 171169936

IUPAC1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCOc1ccc(Br)c([C@@H](CCF)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H20BrFN2O.ClH/c1-19-11-2-3-13(15)12(10-11)14(4-5-16)18-8-6-17-7-9-18;/h2-3,10,14,17H,4-9H2,1H3;1H/t14-;/m1./s1
InChIKeyYFNPZQVGSKFYEO-PFEQFJNWSA-N
MW367.69 g/mol
LogP3.19
Rot. Bonds5

About 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride (PubChem CID 171169936) has the molecular formula C14H21BrClFN2O and a molecular weight of 367.69 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
PubChem CID171169936
Molecular FormulaC14H21BrClFN2O
Molecular Weight367.69 g/mol
Exact Mass366.05
IUPAC Name1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
SMILESCOc1ccc(Br)c([C@@H](CCF)N2CCNCC2)c1.Cl
InChIInChI=1S/C14H20BrFN2O.ClH/c1-19-11-2-3-13(15)12(10-11)14(4-5-16)18-8-6-17-7-9-18;/h2-3,10,14,17H,4-9H2,1H3;1H/t14-;/m1./s1
InChIKeyYFNPZQVGSKFYEO-PFEQFJNWSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.69
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-bromo-5-methoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303651
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
(2S)-2-(2-bromo-5-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183036
1-[(1S)-1-(2-bromo-5-methoxyphenyl)pent-4-enyl]piperazine
CID 171277514
(3R)-3-(2-bromo-5-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306796
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol;hydrochloride
CID 171168695
1-[(1S)-1-(2-bromo-5-chlorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163964
2-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-5-methoxyphenol
CID 171168694
1-[(1R)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171171067
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171290106
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305297

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride (CID 171169936) is 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride is COc1ccc(Br)c([C@@H](CCF)N2CCNCC2)c1.Cl.
What is the InChIKey of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
The InChIKey is YFNPZQVGSKFYEO-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H20BrFN2O.ClH/c1-19-11-2-3-13(15)12(10-11)14(4-5-16)18-8-6-17-7-9-18;/h2-3,10,14,17H,4-9H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride has a molecular weight of 367.69 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromo-5-methoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171169936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).