4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride

C14H23Cl2FN2O3 — CID 171273772

IUPAC4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
SMILESCOc1cc([C@H](CF)N2CCNCC2)cc(OC)c1O.Cl.Cl
InChIInChI=1S/C14H21FN2O3.2ClH/c1-19-12-7-10(8-13(20-2)14(12)18)11(9-15)17-5-3-16-4-6-17;;/h7-8,11,16,18H,3-6,9H2,1-2H3;2*1H/t11-;;/m0../s1
InChIKeyQVHMKRPTFRXJKL-IDMXKUIJSA-N
MW357.25 g/mol
LogP2.17
Rot. Bonds5

About 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride (PubChem CID 171273772) has the molecular formula C14H23Cl2FN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
PubChem CID171273772
Molecular FormulaC14H23Cl2FN2O3
Molecular Weight357.25 g/mol
Exact Mass356.11
IUPAC Name4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride
SMILESCOc1cc([C@H](CF)N2CCNCC2)cc(OC)c1O.Cl.Cl
InChIInChI=1S/C14H21FN2O3.2ClH/c1-19-12-7-10(8-13(20-2)14(12)18)11(9-15)17-5-3-16-4-6-17;;/h7-8,11,16,18H,3-6,9H2,1-2H3;2*1H/t11-;;/m0../s1
InChIKeyQVHMKRPTFRXJKL-IDMXKUIJSA-N
XLogP2.17
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
CID 171182345
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;hydrochloride
CID 171182151
2-bromo-4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171278511
2,6-dimethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171168552
2,6-dimethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171286402
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181783
2,6-dimethoxy-4-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308702
2,3-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;dihydrochloride
CID 171296298
1-[(1S)-1-(3,5-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171286292
4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171181788
2-bromo-6-methoxy-4-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171278504
2-chloro-6-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304123

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride?
The IUPAC name of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride (CID 171273772) is 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride.
What is the SMILES notation for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride?
The canonical SMILES for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride is COc1cc([C@H](CF)N2CCNCC2)cc(OC)c1O.Cl.Cl.
What is the InChIKey of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride?
The InChIKey is QVHMKRPTFRXJKL-IDMXKUIJSA-N. The full InChI is InChI=1S/C14H21FN2O3.2ClH/c1-19-12-7-10(8-13(20-2)14(12)18)11(9-15)17-5-3-16-4-6-17;;/h7-8,11,16,18H,3-6,9H2,1-2H3;2*1H/t11-;;/m0../s1.
What are the key properties of 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride?
4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride has a molecular weight of 357.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-fluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol;dihydrochloride is sourced from PubChem (CID 171273772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).