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

C13H20Cl2F2N2 — CID 171281539

IUPAC1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](C(F)F)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C13H18F2N2.2ClH/c1-10-2-4-11(5-3-10)12(13(14)15)17-8-6-16-7-9-17;;/h2-5,12-13,16H,6-9H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyPTSQTRHMLUWPGJ-CURYUGHLSA-N
MW313.22 g/mol
LogP3.05
Rot. Bonds3

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

1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171281539) has the molecular formula C13H20Cl2F2N2 and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171281539
Molecular FormulaC13H20Cl2F2N2
Molecular Weight313.22 g/mol
Exact Mass312.10
IUPAC Name1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@H](C(F)F)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C13H18F2N2.2ClH/c1-10-2-4-11(5-3-10)12(13(14)15)17-8-6-16-7-9-17;;/h2-5,12-13,16H,6-9H2,1H3;2*1H/t12-;;/m1../s1
InChIKeyPTSQTRHMLUWPGJ-CURYUGHLSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171276033
1-[(1S)-1-(3,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171288145
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
1-[(1S)-2,2-difluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171289543
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171272474
1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171282246
1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280730
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-5-methylphenol
CID 171281738
1-[(1S)-1-(3,5-dibromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295338

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride (CID 171281539) is 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride is Cc1ccc([C@H](C(F)F)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is PTSQTRHMLUWPGJ-CURYUGHLSA-N. The full InChI is InChI=1S/C13H18F2N2.2ClH/c1-10-2-4-11(5-3-10)12(13(14)15)17-8-6-16-7-9-17;;/h2-5,12-13,16H,6-9H2,1H3;2*1H/t12-;;/m1../s1.
What are the key properties of 1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 313.22 g/mol, XLogP of 3.05, 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-methylphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).