1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride

C12H17ClF2N2 — CID 171162993

IUPAC1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@@H](c1ccc(F)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m0./s1
InChIKeyQWHHWYQTNGMMSQ-FVGYRXGTSA-N
MW262.73 g/mol
LogP2.35
Rot. Bonds2

About 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride

1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride (PubChem CID 171162993) has the molecular formula C12H17ClF2N2 and a molecular weight of 262.73 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
PubChem CID171162993
Molecular FormulaC12H17ClF2N2
Molecular Weight262.73 g/mol
Exact Mass262.10
IUPAC Name1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
SMILESC[C@@H](c1ccc(F)cc1F)N1CCNCC1.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m0./s1
InChIKeyQWHHWYQTNGMMSQ-FVGYRXGTSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
CID 131320342
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165372
1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117109406
1-[(1S)-1-(2,4-difluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305031
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954814
1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine;hydrochloride
CID 171163000
1-[1-(2,3,4-trifluorophenyl)ethyl]piperazine
CID 82478371
1-[(1S)-1-(4-fluoro-2-nitrophenyl)ethyl]piperazine
CID 171278173
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride (CID 171162993) is 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride is C[C@@H](c1ccc(F)cc1F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride?
The InChIKey is QWHHWYQTNGMMSQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H16F2N2.ClH/c1-9(16-6-4-15-5-7-16)11-3-2-10(13)8-12(11)14;/h2-3,8-9,15H,4-7H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride?
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride has a molecular weight of 262.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171162993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).