1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride

C13H19ClF2N2O — CID 171182531

IUPAC1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1cccc([C@H](CF)N2CCNCC2)c1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-18-12-4-2-3-10(13(12)15)11(9-14)17-7-5-16-6-8-17;/h2-4,11,16H,5-9H2,1H3;1H/t11-;/m0./s1
InChIKeyXVVBNHIMVROHOE-MERQFXBCSA-N
MW292.76 g/mol
LogP2.17
Rot. Bonds4

About 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride

1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171182531) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID171182531
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1cccc([C@H](CF)N2CCNCC2)c1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-18-12-4-2-3-10(13(12)15)11(9-14)17-7-5-16-6-8-17;/h2-4,11,16H,5-9H2,1H3;1H/t11-;/m0./s1
InChIKeyXVVBNHIMVROHOE-MERQFXBCSA-N
XLogP2.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-fluoro-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170313
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171290555
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1S)-1-(2-fluoro-3-methoxyphenyl)butyl]piperazine
CID 171164843
(4R)-4-(2-fluoro-3-methoxyphenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173679
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171170282
1-[(1R)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine
CID 171182666
1-[(1S)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163017
1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1R)-1-(2,3-dimethoxyphenyl)-3-fluoropropyl]piperazine
CID 171168476
1-[(1R)-2-fluoro-1-(2,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171273557

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride (CID 171182531) is 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride is COc1cccc([C@H](CF)N2CCNCC2)c1F.Cl.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is XVVBNHIMVROHOE-MERQFXBCSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c1-18-12-4-2-3-10(13(12)15)11(9-14)17-7-5-16-6-8-17;/h2-4,11,16H,5-9H2,1H3;1H/t11-;/m0./s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride?
1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2-fluoro-3-methoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171182531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).