1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine

C17H28F3N3 — CID 134340540

IUPAC1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC/C(C)=C(/C(C)N1CCN(CC(F)(F)F)CC1)N1C=CCC1
InChIInChI=1S/C17H28F3N3/c1-4-14(2)16(23-7-5-6-8-23)15(3)22-11-9-21(10-12-22)13-17(18,19)20/h5,7,15H,4,6,8-13H2,1-3H3/b16-14-
InChIKeyVQUWFUHZISHQTB-PEZBUJJGSA-N
MW331.43 g/mol
LogP3.46
Rot. Bonds5

About 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine

1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 134340540) has the molecular formula C17H28F3N3 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID134340540
Molecular FormulaC17H28F3N3
Molecular Weight331.43 g/mol
Exact Mass331.22
IUPAC Name1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC/C(C)=C(/C(C)N1CCN(CC(F)(F)F)CC1)N1C=CCC1
InChIInChI=1S/C17H28F3N3/c1-4-14(2)16(23-7-5-6-8-23)15(3)22-11-9-21(10-12-22)13-17(18,19)20/h5,7,15H,4,6,8-13H2,1-3H3/b16-14-
InChIKeyVQUWFUHZISHQTB-PEZBUJJGSA-N
XLogP3.46
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-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-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine (CID 134340540) is 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine is CC/C(C)=C(/C(C)N1CCN(CC(F)(F)F)CC1)N1C=CCC1.
What is the InChIKey of 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is VQUWFUHZISHQTB-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H28F3N3/c1-4-14(2)16(23-7-5-6-8-23)15(3)22-11-9-21(10-12-22)13-17(18,19)20/h5,7,15H,4,6,8-13H2,1-3H3/b16-14-.
What are the key properties of 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 331.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 134340540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).