2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid

C10H19F3N2O2 — CID 174972322

IUPAC2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCNCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.C2HF3O2/c1-3-5-10-6-4-9-7-8(10)2;3-2(4,5)1(6)7/h8-9H,3-7H2,1-2H3;(H,6,7)
InChIKeyIRUOIGIFIBZWPQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.32
Rot. Bonds2

About 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid

2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid (PubChem CID 174972322) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
PubChem CID174972322
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid
SMILESCCCN1CCNCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.C2HF3O2/c1-3-5-10-6-4-9-7-8(10)2;3-2(4,5)1(6)7/h8-9H,3-7H2,1-2H3;(H,6,7)
InChIKeyIRUOIGIFIBZWPQ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid (CID 174972322) is 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid is CCCN1CCNCC1C.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid?
The InChIKey is IRUOIGIFIBZWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2HF3O2/c1-3-5-10-6-4-9-7-8(10)2;3-2(4,5)1(6)7/h8-9H,3-7H2,1-2H3;(H,6,7).
What are the key properties of 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid?
2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid has a molecular weight of 256.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylpiperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174972322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).