2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine

C12H22F3N3 — CID 139311137

IUPAC2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine
SMILESCC(C)=C(N)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-9(2)11(16)10(3)18-6-4-17(5-7-18)8-12(13,14)15/h10H,4-8,16H2,1-3H3
InChIKeyPQWNPKKKYXGKJM-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.81
Rot. Bonds3

About 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine

2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine (PubChem CID 139311137) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine
PubChem CID139311137
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine
SMILESCC(C)=C(N)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-9(2)11(16)10(3)18-6-4-17(5-7-18)8-12(13,14)15/h10H,4-8,16H2,1-3H3
InChIKeyPQWNPKKKYXGKJM-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine?
The IUPAC name of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine (CID 139311137) is 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine.
What is the SMILES notation for 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine?
The canonical SMILES for 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine is CC(C)=C(N)C(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine?
The InChIKey is PQWNPKKKYXGKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-9(2)11(16)10(3)18-6-4-17(5-7-18)8-12(13,14)15/h10H,4-8,16H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine?
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine has a molecular weight of 265.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine is sourced from PubChem (CID 139311137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).