1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone

C14H21NO — CID 143193079

IUPAC1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C2=CCCC=C2)CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13/h4,6-7H,3,5,8-11H2,1-2H3
InChIKeyHVYHYPBQLRQBDZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds2

About 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone

1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone (PubChem CID 143193079) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone
PubChem CID143193079
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone
SMILESCC(=O)C1(C2=CCCC=C2)CCN(C)CC1
InChIInChI=1S/C14H21NO/c1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13/h4,6-7H,3,5,8-11H2,1-2H3
InChIKeyHVYHYPBQLRQBDZ-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone 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 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone (CID 143193079) is 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone is CC(=O)C1(C2=CCCC=C2)CCN(C)CC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone?
The InChIKey is HVYHYPBQLRQBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(16)14(8-10-15(2)11-9-14)13-6-4-3-5-7-13/h4,6-7H,3,5,8-11H2,1-2H3.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone?
1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-yl-1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 143193079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).