2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid

C8H16F3N3O2 — CID 68655172

IUPAC2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
SMILESNCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3.C2HF3O2/c7-1-4-9-5-2-8-3-6-9;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7)
InChIKeyWLOJFZSNLPGQTD-UHFFFAOYSA-N
MW243.23 g/mol
LogP-0.52
Rot. Bonds2

About 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid

2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 68655172) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
PubChem CID68655172
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC Name2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid
SMILESNCCN1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15N3.C2HF3O2/c7-1-4-9-5-2-8-3-6-9;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7)
InChIKeyWLOJFZSNLPGQTD-UHFFFAOYSA-N
XLogP-0.52
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid (CID 68655172) is 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid is NCCN1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is WLOJFZSNLPGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3.C2HF3O2/c7-1-4-9-5-2-8-3-6-9;3-2(4,5)1(6)7/h8H,1-7H2;(H,6,7).
What are the key properties of 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid?
2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 243.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68655172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).