1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride

C13H20ClFN2O — CID 171164703

IUPAC1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1ccc(F)cc1[C@H](C)N1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-10(16-7-5-15-6-8-16)12-9-11(14)3-4-13(12)17-2;/h3-4,9-10,15H,5-8H2,1-2H3;1H/t10-;/m0./s1
InChIKeyRIXRMRSBCYYYTB-PPHPATTJSA-N
MW274.77 g/mol
LogP2.22
Rot. Bonds3

About 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride

1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride (PubChem CID 171164703) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
PubChem CID171164703
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
SMILESCOc1ccc(F)cc1[C@H](C)N1CCNCC1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-10(16-7-5-15-6-8-16)12-9-11(14)3-4-13(12)17-2;/h3-4,9-10,15H,5-8H2,1-2H3;1H/t10-;/m0./s1
InChIKeyRIXRMRSBCYYYTB-PPHPATTJSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954788
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171164790
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride (CID 171164703) is 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride is COc1ccc(F)cc1[C@H](C)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
The InChIKey is RIXRMRSBCYYYTB-PPHPATTJSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-10(16-7-5-15-6-8-16)12-9-11(14)3-4-13(12)17-2;/h3-4,9-10,15H,5-8H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171164703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).