1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride

C12H17Cl2FN2 — CID 171166411

IUPAC1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@@H](c1ccc(Cl)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C12H16ClFN2.ClH/c1-9(16-6-4-15-5-7-16)10-2-3-11(13)12(14)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m0./s1
InChIKeyZPOITSLSDYHERU-FVGYRXGTSA-N
MW279.19 g/mol
LogP2.87
Rot. Bonds2

About 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride

1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride (PubChem CID 171166411) has the molecular formula C12H17Cl2FN2 and a molecular weight of 279.19 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
PubChem CID171166411
Molecular FormulaC12H17Cl2FN2
Molecular Weight279.19 g/mol
Exact Mass278.08
IUPAC Name1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@@H](c1ccc(Cl)c(F)c1)N1CCNCC1.Cl
InChIInChI=1S/C12H16ClFN2.ClH/c1-9(16-6-4-15-5-7-16)10-2-3-11(13)12(14)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m0./s1
InChIKeyZPOITSLSDYHERU-FVGYRXGTSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1S)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310312
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165445
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
1-[(1S)-1-(4-chloro-3-methoxyphenyl)ethyl]piperazine
CID 171281064
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1S)-1-(4-chloro-3-fluorophenyl)prop-2-enyl]piperazine
CID 171166426
1-[(1S)-1-(3-chloro-4-ethoxy-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171167386
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)ethyl]piperazine
CID 171165963
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171163132

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride (CID 171166411) is 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride is C[C@@H](c1ccc(Cl)c(F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride?
The InChIKey is ZPOITSLSDYHERU-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H16ClFN2.ClH/c1-9(16-6-4-15-5-7-16)10-2-3-11(13)12(14)8-10;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride has a molecular weight of 279.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171166411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).