1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine

C14H24F3N3 — CID 139395078

IUPAC1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C(C)N1CCN(CC(F)(F)F)CC1)N1C=CCC1
InChIInChI=1S/C14H24F3N3/c1-12(19-5-3-4-6-19)13(2)20-9-7-18(8-10-20)11-14(15,16)17/h3,5,12-13H,4,6-11H2,1-2H3
InChIKeyFDXRDPYQAUREFQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.16
Rot. Bonds4

About 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine

1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 139395078) has the molecular formula C14H24F3N3 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID139395078
Molecular FormulaC14H24F3N3
Molecular Weight291.36 g/mol
Exact Mass291.19
IUPAC Name1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C(C)N1CCN(CC(F)(F)F)CC1)N1C=CCC1
InChIInChI=1S/C14H24F3N3/c1-12(19-5-3-4-6-19)13(2)20-9-7-18(8-10-20)11-14(15,16)17/h3,5,12-13H,4,6-11H2,1-2H3
InChIKeyFDXRDPYQAUREFQ-UHFFFAOYSA-N
XLogP2.16
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine (CID 139395078) is 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine is CC(C(C)N1CCN(CC(F)(F)F)CC1)N1C=CCC1.
What is the InChIKey of 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is FDXRDPYQAUREFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3/c1-12(19-5-3-4-6-19)13(2)20-9-7-18(8-10-20)11-14(15,16)17/h3,5,12-13H,4,6-11H2,1-2H3.
What are the key properties of 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 291.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydropyrrol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 139395078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).