(4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone

C19H23F2NO — CID 163739388

IUPAC(4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone
SMILESCC1CC(F)=CC=C1C1(C(=O)C2=CC=C(F)CC2)CCNCC1
InChIInChI=1S/C19H23F2NO/c1-13-12-16(21)6-7-17(13)19(8-10-22-11-9-19)18(23)14-2-4-15(20)5-3-14/h2,4,6-7,13,22H,3,5,8-12H2,1H3
InChIKeyLGLHCLDZIRBGGV-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.32
Rot. Bonds3

About (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone

(4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone (PubChem CID 163739388) has the molecular formula C19H23F2NO and a molecular weight of 319.40 g/mol. Its IUPAC name is (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone
PubChem CID163739388
Molecular FormulaC19H23F2NO
Molecular Weight319.40 g/mol
Exact Mass319.17
IUPAC Name(4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone
SMILESCC1CC(F)=CC=C1C1(C(=O)C2=CC=C(F)CC2)CCNCC1
InChIInChI=1S/C19H23F2NO/c1-13-12-16(21)6-7-17(13)19(8-10-22-11-9-19)18(23)14-2-4-15(20)5-3-14/h2,4,6-7,13,22H,3,5,8-12H2,1H3
InChIKeyLGLHCLDZIRBGGV-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone 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

(4-Fluorocyclohexen-1-yl)-piperidin-4-ylmethanone
CID 68199885
[5-Fluoro-4-(3-methylbutyl)cyclohexa-1,5-dien-1-yl]-piperidin-4-ylmethanone
CID 142247449
1-(4,5-Dimethylcyclohexa-1,3-dien-1-yl)-4-[4-[3-(1-methylpiperidin-4-yl)propyl]-2-(trifluoromethyl)cyclohex-2-en-1-yl]butan-1-one
CID 163452091
(2E,4E)-2-ethenyl-5-fluoro-1-[4-(4-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]penta-2,4-dien-1-one
CID 143792344
5,5-Dimethyl-2-piperidin-3-ylcyclohex-2-en-1-one
CID 22712717
4-(2-Methylcyclohexa-1,5-dien-1-yl)-5-(4-methylpiperidin-4-yl)pentan-2-one
CID 68046985
(4E,6Z)-2,4-dimethyl-1-(5-methylpiperidin-3-yl)octa-4,6-dien-3-one
CID 89233973
1-(2,4-Dimethylcyclohexa-1,5-dien-1-yl)-3-piperidin-4-ylpropan-1-one
CID 90723172
Cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone
CID 121280624
(E)-7-(4-hepta-1,3,5-trien-3-ylpiperidin-4-yl)-5-methylhept-2-en-4-one
CID 123398182
(3Z)-3-(2,2-dimethylpropylidene)-2-methylidene-5-(piperidin-4-ylmethyl)cyclopentan-1-one;ethane
CID 143693789
ethane;(2E,4E)-2-ethenyl-5-fluoro-1-[4-(4-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]penta-2,4-dien-1-one
CID 143792343

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone (CID 163739388) is (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone is CC1CC(F)=CC=C1C1(C(=O)C2=CC=C(F)CC2)CCNCC1.
What is the InChIKey of (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone?
The InChIKey is LGLHCLDZIRBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-13-12-16(21)6-7-17(13)19(8-10-22-11-9-19)18(23)14-2-4-15(20)5-3-14/h2,4,6-7,13,22H,3,5,8-12H2,1H3.
What are the key properties of (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone?
(4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexa-1,3-dien-1-yl)-[4-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 163739388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).