1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid

C10H19F3N2O2 — CID 118367131

IUPAC1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.C2HF3O2/c1-8(2)7-10-5-3-9-4-6-10;3-2(4,5)1(6)7/h8-9H,3-7H2,1-2H3;(H,6,7)
InChIKeyUBIHEOVAADLFLP-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.18
Rot. Bonds2

About 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid

1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid (PubChem CID 118367131) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
PubChem CID118367131
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.C2HF3O2/c1-8(2)7-10-5-3-9-4-6-10;3-2(4,5)1(6)7/h8-9H,3-7H2,1-2H3;(H,6,7)
InChIKeyUBIHEOVAADLFLP-UHFFFAOYSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1-(2-methylpropyl)piperazine
CID 167537973
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
1-prop-2-ynylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 87238358
(2R)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 23656139
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62210402
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
2-(2-piperazin-1-ylethoxy)ethyl acetate;2,2,2-trifluoroacetic acid
CID 70086364
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid (CID 118367131) is 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid is CC(C)CN1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is UBIHEOVAADLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2HF3O2/c1-8(2)7-10-5-3-9-4-6-10;3-2(4,5)1(6)7/h8-9H,3-7H2,1-2H3;(H,6,7).
What are the key properties of 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid?
1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 256.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118367131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).