1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine

C15H20FN — CID 142581038

IUPAC1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
SMILESC=C=C(C1=C(C)C=CCC1F)N1CCCCC1
InChIInChI=1S/C15H20FN/c1-3-14(17-10-5-4-6-11-17)15-12(2)8-7-9-13(15)16/h7-8,13H,1,4-6,9-11H2,2H3
InChIKeyGYLSBGYTCUFDAT-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.76
Rot. Bonds2

About 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine

1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine (PubChem CID 142581038) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine.

Molecular Properties

Compound Name1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
PubChem CID142581038
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
SMILESC=C=C(C1=C(C)C=CCC1F)N1CCCCC1
InChIInChI=1S/C15H20FN/c1-3-14(17-10-5-4-6-11-17)15-12(2)8-7-9-13(15)16/h7-8,13H,1,4-6,9-11H2,2H3
InChIKeyGYLSBGYTCUFDAT-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine 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-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
The IUPAC name of 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine (CID 142581038) is 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine.
What is the SMILES notation for 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
The canonical SMILES for 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine is C=C=C(C1=C(C)C=CCC1F)N1CCCCC1.
What is the InChIKey of 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
The InChIKey is GYLSBGYTCUFDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-3-14(17-10-5-4-6-11-17)15-12(2)8-7-9-13(15)16/h7-8,13H,1,4-6,9-11H2,2H3.
What are the key properties of 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine?
1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine has a molecular weight of 233.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine is sourced from PubChem (CID 142581038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).