cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone

C12H17NO — CID 121280624

IUPACcyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone
SMILESO=C(C1=CC=CCC1)C1CCNCC1
InChIInChI=1S/C12H17NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-2,4,11,13H,3,5-9H2
InChIKeyXUIQTFKFNKMCCW-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.83
Rot. Bonds2

About cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone

cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone (PubChem CID 121280624) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone
PubChem CID121280624
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namecyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone
SMILESO=C(C1=CC=CCC1)C1CCNCC1
InChIInChI=1S/C12H17NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-2,4,11,13H,3,5-9H2
InChIKeyXUIQTFKFNKMCCW-UHFFFAOYSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexa-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

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone?
The IUPAC name of cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone (CID 121280624) is cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone?
The canonical SMILES for cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone is O=C(C1=CC=CCC1)C1CCNCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone?
The InChIKey is XUIQTFKFNKMCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-2,4,11,13H,3,5-9H2.
What are the key properties of cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone?
cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone has a molecular weight of 191.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl(piperidin-4-yl)methanone is sourced from PubChem (CID 121280624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).