1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine

C17H26F3N3 — CID 134340833

IUPAC1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H26F3N3/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/h5,7H,3-4,6,8-13H2,1-2H3/b16-14-
InChIKeyMMORZMIABODNPE-PEZBUJJGSA-N
MW329.41 g/mol
LogP3.58
Rot. Bonds5

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

1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 134340833) has the molecular formula C17H26F3N3 and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID134340833
Molecular FormulaC17H26F3N3
Molecular Weight329.41 g/mol
Exact Mass329.21
IUPAC Name1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(/C(=C(\C)CC)N1C=CCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H26F3N3/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/h5,7H,3-4,6,8-13H2,1-2H3/b16-14-
InChIKeyMMORZMIABODNPE-PEZBUJJGSA-N
XLogP3.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-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-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine (CID 134340833) is 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine is C=C(/C(=C(\C)CC)N1C=CCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is MMORZMIABODNPE-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H26F3N3/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/h5,7H,3-4,6,8-13H2,1-2H3/b16-14-.
What are the key properties of 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 329.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 134340833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).