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

C12H20F3N3 — CID 79208425

IUPAC4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3N3/c13-12(14,15)9-18-5-3-17(4-6-18)8-10-1-2-11(16)7-10/h1-2,10-11H,3-9,16H2
InChIKeyDZHQCNGOFUEXIN-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.07
Rot. Bonds3

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

4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine (PubChem CID 79208425) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
PubChem CID79208425
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3N3/c13-12(14,15)9-18-5-3-17(4-6-18)8-10-1-2-11(16)7-10/h1-2,10-11H,3-9,16H2
InChIKeyDZHQCNGOFUEXIN-UHFFFAOYSA-N
XLogP1.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine (CID 79208425) is 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine is NC1C=CC(CN2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
The InChIKey is DZHQCNGOFUEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c13-12(14,15)9-18-5-3-17(4-6-18)8-10-1-2-11(16)7-10/h1-2,10-11H,3-9,16H2.
What are the key properties of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine?
4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine has a molecular weight of 263.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79208425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).