4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine

C13H21N — CID 67378559

IUPAC4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine
SMILESCC1CNCCC1(C)C1=CCCC=C1
InChIInChI=1S/C13H21N/c1-11-10-14-9-8-13(11,2)12-6-4-3-5-7-12/h4,6-7,11,14H,3,5,8-10H2,1-2H3
InChIKeyDVDGKEZSERCGPO-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.90
Rot. Bonds1

About 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine

4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine (PubChem CID 67378559) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine
PubChem CID67378559
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine
SMILESCC1CNCCC1(C)C1=CCCC=C1
InChIInChI=1S/C13H21N/c1-11-10-14-9-8-13(11,2)12-6-4-3-5-7-12/h4,6-7,11,14H,3,5,8-10H2,1-2H3
InChIKeyDVDGKEZSERCGPO-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine 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 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine (CID 67378559) is 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine is CC1CNCCC1(C)C1=CCCC=C1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine?
The InChIKey is DVDGKEZSERCGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11-10-14-9-8-13(11,2)12-6-4-3-5-7-12/h4,6-7,11,14H,3,5,8-10H2,1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine?
4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine has a molecular weight of 191.32 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-3,4-dimethylpiperidine is sourced from PubChem (CID 67378559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).