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

C9H19Cl2F3N2 — CID 171276178

IUPAC1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
SMILESCCC[C@H](N1CCNCC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C9H17F3N2.2ClH/c1-2-3-8(9(10,11)12)14-6-4-13-5-7-14;;/h8,13H,2-7H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyIHJPSEABLWBIEE-JZGIKJSDSA-N
MW283.17 g/mol
LogP2.47
Rot. Bonds3

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

1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride (PubChem CID 171276178) has the molecular formula C9H19Cl2F3N2 and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
PubChem CID171276178
Molecular FormulaC9H19Cl2F3N2
Molecular Weight283.17 g/mol
Exact Mass282.09
IUPAC Name1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride
SMILESCCC[C@H](N1CCNCC1)C(F)(F)F.Cl.Cl
InChIInChI=1S/C9H17F3N2.2ClH/c1-2-3-8(9(10,11)12)14-6-4-13-5-7-14;;/h8,13H,2-7H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyIHJPSEABLWBIEE-JZGIKJSDSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1,1,1-trifluoroheptan-2-yl]piperazine
CID 171308963
1-[(2S)-1,1,1,5,5,5-hexafluoropentan-2-yl]piperazine;dihydrochloride
CID 171302579
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812812
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171172161
1-[(1S)-1-(2,3,4,5,6-pentafluorophenyl)butyl]piperazine;hydrochloride
CID 171166800
1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 120812924
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
1-heptan-2-ylpiperazine
CID 61464712
3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
CID 120813243

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride?
The IUPAC name of 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride (CID 171276178) is 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride is CCC[C@H](N1CCNCC1)C(F)(F)F.Cl.Cl.
What is the InChIKey of 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride?
The InChIKey is IHJPSEABLWBIEE-JZGIKJSDSA-N. The full InChI is InChI=1S/C9H17F3N2.2ClH/c1-2-3-8(9(10,11)12)14-6-4-13-5-7-14;;/h8,13H,2-7H2,1H3;2*1H/t8-;;/m0../s1.
What are the key properties of 1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride?
1-[(2S)-1,1,1-trifluoropentan-2-yl]piperazine;dihydrochloride has a molecular weight of 283.17 g/mol, XLogP of 2.47, 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-trifluoropentan-2-yl]piperazine;dihydrochloride is sourced from PubChem (CID 171276178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).