1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride

C11H15Cl4F2N3 — CID 171277375

IUPAC1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1c(Cl)cncc1Cl)N1CCNCC1
InChIInChI=1S/C11H13Cl2F2N3.2ClH/c12-7-5-17-6-8(13)9(7)10(11(14)15)18-3-1-16-2-4-18;;/h5-6,10-11,16H,1-4H2;2*1H/t10-;;/m1../s1
InChIKeyHGXJDAXPBWRONO-YQFADDPSSA-N
MW369.07 g/mol
LogP3.44
Rot. Bonds3

About 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride (PubChem CID 171277375) has the molecular formula C11H15Cl4F2N3 and a molecular weight of 369.07 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride
PubChem CID171277375
Molecular FormulaC11H15Cl4F2N3
Molecular Weight369.07 g/mol
Exact Mass367.00
IUPAC Name1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1c(Cl)cncc1Cl)N1CCNCC1
InChIInChI=1S/C11H13Cl2F2N3.2ClH/c12-7-5-17-6-8(13)9(7)10(11(14)15)18-3-1-16-2-4-18;;/h5-6,10-11,16H,1-4H2;2*1H/t10-;;/m1../s1
InChIKeyHGXJDAXPBWRONO-YQFADDPSSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.07
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine
CID 171289999
1-[(1S)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171294601
1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2-methylbutyl]piperazine
CID 171304524
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171292460
1-[(1S)-1-(3,5-dichloro-4-pyridinyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302681
1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
CID 171277386
1-[(1R)-2,2-difluoro-1-(2,3,5,6-tetrafluorophenyl)ethyl]piperazine;dihydrochloride
CID 171280635
1-[(1R)-2,2-difluoro-1-(2,3,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277667
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
1-[(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171292589
1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171282467
1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171279994

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride (CID 171277375) is 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)[C@@H](c1c(Cl)cncc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The InChIKey is HGXJDAXPBWRONO-YQFADDPSSA-N. The full InChI is InChI=1S/C11H13Cl2F2N3.2ClH/c12-7-5-17-6-8(13)9(7)10(11(14)15)18-3-1-16-2-4-18;;/h5-6,10-11,16H,1-4H2;2*1H/t10-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride has a molecular weight of 369.07 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171277375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).