2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine

C11H20F3N3 — CID 163984833

IUPAC2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine
SMILESC=C(C)N1CCN(C(C)(C)N)C(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3/c1-8(2)16-5-6-17(10(3,4)15)9(7-16)11(12,13)14/h9H,1,5-7,15H2,2-4H3
InChIKeyTVIOFBXLMVVVAV-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.76
Rot. Bonds2

About 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine

2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine (PubChem CID 163984833) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine
PubChem CID163984833
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine
SMILESC=C(C)N1CCN(C(C)(C)N)C(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3/c1-8(2)16-5-6-17(10(3,4)15)9(7-16)11(12,13)14/h9H,1,5-7,15H2,2-4H3
InChIKeyTVIOFBXLMVVVAV-UHFFFAOYSA-N
XLogP1.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine?
The IUPAC name of 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine (CID 163984833) is 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine.
What is the SMILES notation for 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine?
The canonical SMILES for 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine is C=C(C)N1CCN(C(C)(C)N)C(C(F)(F)F)C1.
What is the InChIKey of 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine?
The InChIKey is TVIOFBXLMVVVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-8(2)16-5-6-17(10(3,4)15)9(7-16)11(12,13)14/h9H,1,5-7,15H2,2-4H3.
What are the key properties of 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine?
2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine has a molecular weight of 251.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-prop-1-en-2-yl-2-(trifluoromethyl)piperazin-1-yl]propan-2-amine is sourced from PubChem (CID 163984833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).