1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride

C9H16Cl2F6N2 — CID 171302579

IUPAC1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F6N2.2ClH/c10-8(11,12)2-1-7(9(13,14)15)17-5-3-16-4-6-17;;/h7,16H,1-6H2;2*1H/t7-;;/m0../s1
InChIKeyIYFWWMPPZMEWSO-KLXURFKVSA-N
MW337.14 g/mol
LogP3.01
Rot. Bonds3

About 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride

1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride (PubChem CID 171302579) has the molecular formula C9H16Cl2F6N2 and a molecular weight of 337.14 g/mol. Its IUPAC name is 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride
PubChem CID171302579
Molecular FormulaC9H16Cl2F6N2
Molecular Weight337.14 g/mol
Exact Mass336.06
IUPAC Name1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)(F)CC[C@H](N1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F6N2.2ClH/c10-8(11,12)2-1-7(9(13,14)15)17-5-3-16-4-6-17;;/h7,16H,1-6H2;2*1H/t7-;;/m0../s1
InChIKeyIYFWWMPPZMEWSO-KLXURFKVSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
CID 171276178
1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine
CID 171308963
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
1-[(1S)-4,4,4-trifluoro-1-(4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171302367
1-[(1S)-4,4,4-trifluoro-1-(4-iodophenyl)butyl]piperazine;hydrochloride
CID 171163757
1-[(1R)-4,4,4-trifluoro-1-thiophen-2-ylbutyl]piperazine;dihydrochloride
CID 171303977
1-[(1R)-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butyl]piperazine;dihydrochloride
CID 171303885
1-[(1S)-4,4,4-trifluoro-1-(4-methylphenyl)butyl]piperazine;dihydrochloride
CID 171303015
1-[(1R)-1-(2,5-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173102
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride (CID 171302579) is 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride is Cl.Cl.FC(F)(F)CC[C@H](N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride?
The InChIKey is IYFWWMPPZMEWSO-KLXURFKVSA-N. The full InChI is InChI=1S/C9H14F6N2.2ClH/c10-8(11,12)2-1-7(9(13,14)15)17-5-3-16-4-6-17;;/h7,16H,1-6H2;2*1H/t7-;;/m0../s1.
What are the key properties of 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride?
1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride has a molecular weight of 337.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride is sourced from PubChem (CID 171302579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).