(4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone

C12H15F2NO — CID 141328386

IUPAC(4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone
SMILESO=C(C1=CCC(F)(F)C=C1)C1CCNCC1
InChIInChI=1S/C12H15F2NO/c13-12(14)5-1-9(2-6-12)11(16)10-3-7-15-8-4-10/h1-2,5,10,15H,3-4,6-8H2
InChIKeyZQAZCAXRRBPTEF-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.08
Rot. Bonds2

About (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone

(4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone (PubChem CID 141328386) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone
PubChem CID141328386
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone
SMILESO=C(C1=CCC(F)(F)C=C1)C1CCNCC1
InChIInChI=1S/C12H15F2NO/c13-12(14)5-1-9(2-6-12)11(16)10-3-7-15-8-4-10/h1-2,5,10,15H,3-4,6-8H2
InChIKeyZQAZCAXRRBPTEF-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohepta-1,3,5-trien-1-yl)-piperidin-4-ylmethanone
CID 141942544
(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methyl-1-piperidin-4-ylhexa-2,4-dien-1-one
CID 142137775
[5-Fluoro-4-(3-methylbutyl)cyclohexa-1,5-dien-1-yl]-piperidin-4-ylmethanone
CID 142247449
(3Z,5E)-5-fluoro-2-methylidene-1-piperidin-4-ylhepta-3,5-dien-1-one
CID 143923274
7-fluoro-3-methyl-2,3,8,8a-tetrahydro-1H-isoquinolin-4-one
CID 146551364
1-Piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-one
CID 130564987
2-(2,3-Difluorocyclohepta-1,3,6-trien-1-yl)-1-piperidin-4-ylethanone
CID 142816297
(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
2,2,2-Trifluoro-1-(6-fluoro-6-piperidin-4-ylcyclohexa-2,4-dien-1-yl)ethanone
CID 150557876
2,3,4,8a-tetrahydro-1H-isoquinolin-8-one
CID 70038736
4-Piperidin-4-ylcyclohexa-2,4-dien-1-one
CID 118207557
Cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone
CID 121280624

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone (CID 141328386) is (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone is O=C(C1=CCC(F)(F)C=C1)C1CCNCC1.
What is the InChIKey of (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone?
The InChIKey is ZQAZCAXRRBPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)5-1-9(2-6-12)11(16)10-3-7-15-8-4-10/h1-2,5,10,15H,3-4,6-8H2.
What are the key properties of (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone?
(4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone has a molecular weight of 227.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 141328386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).