1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride

C12H17Cl4FN2 — CID 171277286

IUPAC1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C12H15Cl2FN2.2ClH/c13-10-3-1-2-9(12(10)14)11(8-15)17-6-4-16-5-7-17;;/h1-3,11,16H,4-8H2;2*1H/t11-;;/m0../s1
InChIKeyCNIXGJARLARGBD-IDMXKUIJSA-N
MW350.09 g/mol
LogP3.75
Rot. Bonds3

About 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride (PubChem CID 171277286) has the molecular formula C12H17Cl4FN2 and a molecular weight of 350.09 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
PubChem CID171277286
Molecular FormulaC12H17Cl4FN2
Molecular Weight350.09 g/mol
Exact Mass348.01
IUPAC Name1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1cccc(Cl)c1Cl)N1CCNCC1
InChIInChI=1S/C12H15Cl2FN2.2ClH/c13-10-3-1-2-9(12(10)14)11(8-15)17-6-4-16-5-7-17;;/h1-3,11,16H,4-8H2;2*1H/t11-;;/m0../s1
InChIKeyCNIXGJARLARGBD-IDMXKUIJSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.09
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,3-dichlorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277288
1-[(1R)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303637
2-chloro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171182500
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171292669
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
1-[(1S)-1-(2,3-dichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309076
1-[(1R)-2-fluoro-1-(2,3,5-trichlorophenyl)ethyl]piperazine;hydrochloride
CID 171182779
1-[(1S)-2-fluoro-1-(2,3,6-trichlorophenyl)ethyl]piperazine;hydrochloride
CID 171182196
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
2,3-dichloro-6-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171300924
2,3-dichloro-6-[(1R)-2-fluoro-1-piperazin-1-ylethyl]phenol
CID 171298445
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride (CID 171277286) is 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@@H](c1cccc(Cl)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The InChIKey is CNIXGJARLARGBD-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H15Cl2FN2.2ClH/c13-10-3-1-2-9(12(10)14)11(8-15)17-6-4-16-5-7-17;;/h1-3,11,16H,4-8H2;2*1H/t11-;;/m0../s1.
What are the key properties of 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride has a molecular weight of 350.09 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).