1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one

C12H16FNO — CID 157048049

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one
SMILESO=C1CCN(CC2=CCCC=C2)CC1F
InChIInChI=1S/C12H16FNO/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10/h2,4-5,11H,1,3,6-9H2
InChIKeyHPADFENUCPGJAL-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.88
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one

1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one (PubChem CID 157048049) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one
PubChem CID157048049
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one
SMILESO=C1CCN(CC2=CCCC=C2)CC1F
InChIInChI=1S/C12H16FNO/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10/h2,4-5,11H,1,3,6-9H2
InChIKeyHPADFENUCPGJAL-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1-Fluorocyclohexa-2,4-dien-1-yl)ethyl]piperidin-4-one
CID 69593566
1-[(E)-5-methylidene-6-(trifluoromethyl)oct-6-enyl]piperidin-4-one
CID 121429970
1-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]piperidin-4-one
CID 144028271
1-[4-(4-Fluoropiperidin-1-yl)cyclohexa-1,5-dien-1-yl]ethanone
CID 156403759
1-[(2E)-2-ethenylpenta-2,4-dienyl]-3-(trifluoromethyl)piperidin-4-one
CID 164584726
1-(2-Fluorocyclohexa-1,5-dien-1-yl)piperidin-4-one
CID 168964199
2-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one
CID 20262491
6-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one
CID 20262546
(4Z)-5-fluoro-3-piperidin-1-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-2-one
CID 144046922
2-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262490
6-Fluoro-3-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]cyclohexa-2,4-dien-1-one iodide
CID 20262545
1-[(1R)-2,3,4,5-tetrahydro-1H-inden-1-yl]piperidin-4-one
CID 68351595

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one (CID 157048049) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one is O=C1CCN(CC2=CCCC=C2)CC1F.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one?
The InChIKey is HPADFENUCPGJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-9-14(7-6-12(11)15)8-10-4-2-1-3-5-10/h2,4-5,11H,1,3,6-9H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one?
1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one has a molecular weight of 209.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-3-fluoropiperidin-4-one is sourced from PubChem (CID 157048049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).