(3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine

C10H18F3N5 — CID 178030180

IUPAC(3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N5/c11-10(12,13)7-17-3-5-18(6-4-17)9(16)2-1-8(14)15/h1-2H,3-7,14-16H2/b9-2+
InChIKeyYCJSJIGAHWUGBT-XNWCZRBMSA-N
MW265.28 g/mol
LogP-0.27
Rot. Bonds3

About (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine

(3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine (PubChem CID 178030180) has the molecular formula C10H18F3N5 and a molecular weight of 265.28 g/mol. Its IUPAC name is (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
PubChem CID178030180
Molecular FormulaC10H18F3N5
Molecular Weight265.28 g/mol
Exact Mass265.15
IUPAC Name(3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N5/c11-10(12,13)7-17-3-5-18(6-4-17)9(16)2-1-8(14)15/h1-2H,3-7,14-16H2/b9-2+
InChIKeyYCJSJIGAHWUGBT-XNWCZRBMSA-N
XLogP-0.27
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine (CID 178030180) is (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine is NC(N)=C/C=C(\N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
The InChIKey is YCJSJIGAHWUGBT-XNWCZRBMSA-N. The full InChI is InChI=1S/C10H18F3N5/c11-10(12,13)7-17-3-5-18(6-4-17)9(16)2-1-8(14)15/h1-2H,3-7,14-16H2/b9-2+.
What are the key properties of (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine?
(3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine has a molecular weight of 265.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]buta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 178030180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).