1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride

C14H23Cl2FN2O2 — CID 171274756

IUPAC1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](CF)N2CCNCC2)c(OC)c1.Cl.Cl
InChIInChI=1S/C14H21FN2O2.2ClH/c1-18-11-3-4-12(14(9-11)19-2)13(10-15)17-7-5-16-6-8-17;;/h3-4,9,13,16H,5-8,10H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyNDZSBHUWPUTNFB-GXKRWWSZSA-N
MW341.25 g/mol
LogP2.46
Rot. Bonds5

About 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride (PubChem CID 171274756) has the molecular formula C14H23Cl2FN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
PubChem CID171274756
Molecular FormulaC14H23Cl2FN2O2
Molecular Weight341.25 g/mol
Exact Mass340.11
IUPAC Name1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCOc1ccc([C@H](CF)N2CCNCC2)c(OC)c1.Cl.Cl
InChIInChI=1S/C14H21FN2O2.2ClH/c1-18-11-3-4-12(14(9-11)19-2)13(10-15)17-7-5-16-6-8-17;;/h3-4,9,13,16H,5-8,10H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyNDZSBHUWPUTNFB-GXKRWWSZSA-N
XLogP2.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
(3S)-3-(2,4-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305890
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171273557
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171284340
1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 112539822
1-[(1S)-1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287381
1-[(1S)-3,3,3-trifluoro-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171168021
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride (CID 171274756) is 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride is COc1ccc([C@H](CF)N2CCNCC2)c(OC)c1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The InChIKey is NDZSBHUWPUTNFB-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H21FN2O2.2ClH/c1-18-11-3-4-12(14(9-11)19-2)13(10-15)17-7-5-16-6-8-17;;/h3-4,9,13,16H,5-8,10H2,1-2H3;2*1H/t13-;;/m0../s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride has a molecular weight of 341.25 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).