1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine

C13H21FN2 — CID 129260203

IUPAC1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CCC(F)C=C2)CC1
InChIInChI=1S/C13H21FN2/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13/h3,5-6,11-12H,4,7-10H2,1-2H3
InChIKeyLUQGVROGFVQLHH-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.19
Rot. Bonds2

About 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine

1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine (PubChem CID 129260203) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
PubChem CID129260203
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CCC(F)C=C2)CC1
InChIInChI=1S/C13H21FN2/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13/h3,5-6,11-12H,4,7-10H2,1-2H3
InChIKeyLUQGVROGFVQLHH-UHFFFAOYSA-N
XLogP2.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine 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-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine (CID 129260203) is 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2=CCC(F)C=C2)CC1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
The InChIKey is LUQGVROGFVQLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13/h3,5-6,11-12H,4,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine?
1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine has a molecular weight of 224.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 129260203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).