1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine

C15H21FN2 — CID 170343762

IUPAC1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine
SMILESC=C(C1=C(F)CC=CC(C)=C1)N1CCN(C)CC1
InChIInChI=1S/C15H21FN2/c1-12-5-4-6-15(16)14(11-12)13(2)18-9-7-17(3)8-10-18/h4-5,11H,2,6-10H2,1,3H3
InChIKeyKJQIYHZTEBAIIY-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.88
Rot. Bonds2

About 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine

1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine (PubChem CID 170343762) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine
PubChem CID170343762
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine
SMILESC=C(C1=C(F)CC=CC(C)=C1)N1CCN(C)CC1
InChIInChI=1S/C15H21FN2/c1-12-5-4-6-15(16)14(11-12)13(2)18-9-7-17(3)8-10-18/h4-5,11H,2,6-10H2,1,3H3
InChIKeyKJQIYHZTEBAIIY-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine 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-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine?
The IUPAC name of 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine (CID 170343762) is 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine is C=C(C1=C(F)CC=CC(C)=C1)N1CCN(C)CC1.
What is the InChIKey of 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine?
The InChIKey is KJQIYHZTEBAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-12-5-4-6-15(16)14(11-12)13(2)18-9-7-17(3)8-10-18/h4-5,11H,2,6-10H2,1,3H3.
What are the key properties of 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine?
1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine has a molecular weight of 248.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine is sourced from PubChem (CID 170343762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).