1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride

C12H17Cl3F2N2 — CID 171274950

IUPAC1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1ccc(F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H15ClF2N2.2ClH/c13-10-7-9(1-2-11(10)15)12(8-14)17-5-3-16-4-6-17;;/h1-2,7,12,16H,3-6,8H2;2*1H/t12-;;/m0../s1
InChIKeyGQENDNOXIHVKRA-LTCKWSDVSA-N
MW333.64 g/mol
LogP3.24
Rot. Bonds3

About 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride (PubChem CID 171274950) has the molecular formula C12H17Cl3F2N2 and a molecular weight of 333.64 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
PubChem CID171274950
Molecular FormulaC12H17Cl3F2N2
Molecular Weight333.64 g/mol
Exact Mass332.04
IUPAC Name1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1ccc(F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C12H15ClF2N2.2ClH/c13-10-7-9(1-2-11(10)15)12(8-14)17-5-3-16-4-6-17;;/h1-2,7,12,16H,3-6,8H2;2*1H/t12-;;/m0../s1
InChIKeyGQENDNOXIHVKRA-LTCKWSDVSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chloro-4-fluorophenyl)propyl]piperazine
CID 96664875
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288327
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621
1-[(1S)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171288465
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182448
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181992

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride (CID 171274950) is 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@@H](c1ccc(F)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
The InChIKey is GQENDNOXIHVKRA-LTCKWSDVSA-N. The full InChI is InChI=1S/C12H15ClF2N2.2ClH/c13-10-7-9(1-2-11(10)15)12(8-14)17-5-3-16-4-6-17;;/h1-2,7,12,16H,3-6,8H2;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride has a molecular weight of 333.64 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171274950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).