1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)

C13H22F6N2O4 — CID 23078986

IUPAC1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)CN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2.2C2HF3O2/c1-9(2,3)8-11-6-4-10-5-7-11;2*3-2(4,5)1(6)7/h10H,4-8H2,1-3H3;2*(H,6,7)
InChIKeySUHBABSVEHCAKG-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.20
Rot. Bonds1

About 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)

1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 23078986) has the molecular formula C13H22F6N2O4 and a molecular weight of 384.32 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID23078986
Molecular FormulaC13H22F6N2O4
Molecular Weight384.32 g/mol
Exact Mass384.15
IUPAC Name1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)CN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H20N2.2C2HF3O2/c1-9(2,3)8-11-6-4-10-5-7-11;2*3-2(4,5)1(6)7/h10H,4-8H2,1-3H3;2*(H,6,7)
InChIKeySUHBABSVEHCAKG-UHFFFAOYSA-N
XLogP2.20
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-1-(piperazin-1-yl)propan-1-one; trifluoroacetic acid
CID 154577427
Ethylazanium;piperazin-1-ium;2,2,2-trifluoroacetate
CID 22346451
Bis(2,2,2-trifluoroacetic acid);1,2,6-trimethylpiperazine
CID 22460992
2,2,2-trifluoroacetic acid;(2S,6R)-1,2,6-trimethylpiperazine
CID 68439877
1,2-Dimethylpiperazine trifluoroacetic acid salt
CID 68440467
2-Piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
CID 68655172
1-(4-Fluoro-n-butyl)piperazine trifluoroacetic acid
CID 69793632
1-(2-Fluoroethyl)piperazine trifluoroacetic acid salt
CID 85911586
2-Ethylpiperazine;2,2,2-trifluoroacetic acid
CID 87093239
2,2,2-Trifluoroacetic acid;1-(2,2,2-trifluoroethyl)piperazine
CID 87099738
1-Cyclobutylpiperazine;2,2,2-trifluoroacetic acid
CID 87187795
1-Prop-2-ynylpiperazine diTFA salt
CID 87238358

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid) (CID 23078986) is 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid) is CC(C)(C)CN1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SUHBABSVEHCAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2C2HF3O2/c1-9(2,3)8-11-6-4-10-5-7-11;2*3-2(4,5)1(6)7/h10H,4-8H2,1-3H3;2*(H,6,7).
What are the key properties of 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid)?
1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 384.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)piperazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 23078986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).