1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride

C12H17Cl2F2IN2 — CID 171276033

IUPAC1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1ccc(I)cc1)N1CCNCC1
InChIInChI=1S/C12H15F2IN2.2ClH/c13-12(14)11(17-7-5-16-6-8-17)9-1-3-10(15)4-2-9;;/h1-4,11-12,16H,5-8H2;2*1H/t11-;;/m1../s1
InChIKeyGNJSIRONEHORBJ-NVJADKKVSA-N
MW425.09 g/mol
LogP3.35
Rot. Bonds3

About 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171276033) has the molecular formula C12H17Cl2F2IN2 and a molecular weight of 425.09 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171276033
Molecular FormulaC12H17Cl2F2IN2
Molecular Weight425.09 g/mol
Exact Mass423.98
IUPAC Name1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1ccc(I)cc1)N1CCNCC1
InChIInChI=1S/C12H15F2IN2.2ClH/c13-12(14)11(17-7-5-16-6-8-17)9-1-3-10(15)4-2-9;;/h1-4,11-12,16H,5-8H2;2*1H/t11-;;/m1../s1
InChIKeyGNJSIRONEHORBJ-NVJADKKVSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.09
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171287219
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
CID 171281145
1-[(1S)-2,2-difluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine
CID 171294567
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171272474
1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280730
1-[(1S)-1-(3,5-dibromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295338
1-[(1R)-3,3,3-trifluoro-1-(4-iodophenyl)propyl]piperazine;dihydrochloride
CID 171303530
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285431

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride (CID 171276033) is 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)[C@@H](c1ccc(I)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is GNJSIRONEHORBJ-NVJADKKVSA-N. The full InChI is InChI=1S/C12H15F2IN2.2ClH/c13-12(14)11(17-7-5-16-6-8-17)9-1-3-10(15)4-2-9;;/h1-4,11-12,16H,5-8H2;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 425.09 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).