1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride

C14H23Cl2FN2O2 — CID 171286292

IUPAC1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCOc1cc(OC)cc([C@@H](CF)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C14H21FN2O2.2ClH/c1-18-12-7-11(8-13(9-12)19-2)14(10-15)17-5-3-16-4-6-17;;/h7-9,14,16H,3-6,10H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeySXRYUCZMLDAQCB-FMOMHUKBSA-N
MW341.25 g/mol
LogP2.46
Rot. Bonds5

About 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride

1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride (PubChem CID 171286292) has the molecular formula C14H23Cl2FN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
PubChem CID171286292
Molecular FormulaC14H23Cl2FN2O2
Molecular Weight341.25 g/mol
Exact Mass340.11
IUPAC Name1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCOc1cc(OC)cc([C@@H](CF)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C14H21FN2O2.2ClH/c1-18-12-7-11(8-13(9-12)19-2)14(10-15)17-5-3-16-4-6-17;;/h7-9,14,16H,3-6,10H2,1-2H3;2*1H/t14-;;/m1../s1
InChIKeySXRYUCZMLDAQCB-FMOMHUKBSA-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-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1S)-1-(3,5-dimethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171273682
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471010
1-[(1R)-1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171168494
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
(3S)-3-(3,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305828
1-[(1R)-1-(3,5-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307391
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
CID 171273772
1-[(1S)-1-(3,5-dimethoxyphenyl)pentyl]piperazine
CID 171308687
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181783

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride (CID 171286292) is 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride is COc1cc(OC)cc([C@@H](CF)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The InChIKey is SXRYUCZMLDAQCB-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H21FN2O2.2ClH/c1-18-12-7-11(8-13(9-12)19-2)14(10-15)17-5-3-16-4-6-17;;/h7-9,14,16H,3-6,10H2,1-2H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride?
1-[(1S)-1-(3,5-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-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).