1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine

C15H22F4N2 — CID 160869175

IUPAC1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
SMILESCCCCN1CCN(CC2=CC(F)(F)C(F)(F)C=C2)CC1
InChIInChI=1S/C15H22F4N2/c1-2-3-6-20-7-9-21(10-8-20)12-13-4-5-14(16,17)15(18,19)11-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeySLNLZKONPHZECQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.17
Rot. Bonds5

About 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine

1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine (PubChem CID 160869175) has the molecular formula C15H22F4N2 and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
PubChem CID160869175
Molecular FormulaC15H22F4N2
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC Name1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine
SMILESCCCCN1CCN(CC2=CC(F)(F)C(F)(F)C=C2)CC1
InChIInChI=1S/C15H22F4N2/c1-2-3-6-20-7-9-21(10-8-20)12-13-4-5-14(16,17)15(18,19)11-13/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeySLNLZKONPHZECQ-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-(2-Fluoroethyl)-4-[[4-methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 123443565
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
CID 123679716
1-Ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
CID 123724920
1-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
The IUPAC name of 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine (CID 160869175) is 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine.
What is the SMILES notation for 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
The canonical SMILES for 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine is CCCCN1CCN(CC2=CC(F)(F)C(F)(F)C=C2)CC1.
What is the InChIKey of 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
The InChIKey is SLNLZKONPHZECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4N2/c1-2-3-6-20-7-9-21(10-8-20)12-13-4-5-14(16,17)15(18,19)11-13/h4-5,11H,2-3,6-10,12H2,1H3.
What are the key properties of 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine?
1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine has a molecular weight of 306.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(3,3,4,4-tetrafluorocyclohexa-1,5-dien-1-yl)methyl]piperazine is sourced from PubChem (CID 160869175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).