1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride

C12H18Cl2F2N2 — CID 171285841

IUPAC1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C12H16F2N2.2ClH/c13-9-12(16-7-5-15-6-8-16)10-3-1-2-4-11(10)14;;/h1-4,12,15H,5-9H2;2*1H/t12-;;/m1../s1
InChIKeyCRJCYDNWURRVSM-CURYUGHLSA-N
MW299.19 g/mol
LogP2.59
Rot. Bonds3

About 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride

1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171285841) has the molecular formula C12H18Cl2F2N2 and a molecular weight of 299.19 g/mol. Its IUPAC name is 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171285841
Molecular FormulaC12H18Cl2F2N2
Molecular Weight299.19 g/mol
Exact Mass298.08
IUPAC Name1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@H](c1ccccc1F)N1CCNCC1
InChIInChI=1S/C12H16F2N2.2ClH/c13-9-12(16-7-5-15-6-8-16)10-3-1-2-4-11(10)14;;/h1-4,12,15H,5-9H2;2*1H/t12-;;/m1../s1
InChIKeyCRJCYDNWURRVSM-CURYUGHLSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171174180
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1-[(1R)-1-(2-bromophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182257
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1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171284070
1-[(1R)-2-fluoro-1-(2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182348
1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171181869
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
1-[(1R)-2-fluoro-1-(2,3,4-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277985

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride (CID 171285841) is 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@H](c1ccccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is CRJCYDNWURRVSM-CURYUGHLSA-N. The full InChI is InChI=1S/C12H16F2N2.2ClH/c13-9-12(16-7-5-15-6-8-16)10-3-1-2-4-11(10)14;;/h1-4,12,15H,5-9H2;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 299.19 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171285841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).