1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine

C13H20FN — CID 176552867

IUPAC1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1=CCC(C)C(F)=C1N1CCCCC1
InChIInChI=1S/C13H20FN/c1-10-6-7-11(2)13(12(10)14)15-8-4-3-5-9-15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyIXTNRZUGHHANMJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.64
Rot. Bonds1

About 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine

1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 176552867) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine
PubChem CID176552867
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1=CCC(C)C(F)=C1N1CCCCC1
InChIInChI=1S/C13H20FN/c1-10-6-7-11(2)13(12(10)14)15-8-4-3-5-9-15/h7,10H,3-6,8-9H2,1-2H3
InChIKeyIXTNRZUGHHANMJ-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine 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

2-Ethyltetrahydroisoquinoline
CID 129739616
8-(trifluoromethyl)-2,3,4,6-tetrahydro-1H-quinolizine
CID 67020339
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
2-ethyl-6-fluoro-3,4,8,8a-tetrahydro-1H-isoquinoline
CID 89514110
10-Ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
CID 90910284
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
1-[(6-Fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 123163019
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-Buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
CID 123697465
1-[(2,6-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123953860

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine (CID 176552867) is 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine is CC1=CCC(C)C(F)=C1N1CCCCC1.
What is the InChIKey of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is IXTNRZUGHHANMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10-6-7-11(2)13(12(10)14)15-8-4-3-5-9-15/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine?
1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 209.31 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 176552867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).