4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine

C15H23NO2 — CID 142942230

IUPAC4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine
SMILESCOC1(OC)CCN(C2C=CC=CC(C)=C2)CC1
InChIInChI=1S/C15H23NO2/c1-13-6-4-5-7-14(12-13)16-10-8-15(17-2,18-3)9-11-16/h4-7,12,14H,8-11H2,1-3H3
InChIKeyOHJMBMJXWARXSE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds3

About 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine

4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine (PubChem CID 142942230) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine.

Molecular Properties

Compound Name4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine
PubChem CID142942230
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine
SMILESCOC1(OC)CCN(C2C=CC=CC(C)=C2)CC1
InChIInChI=1S/C15H23NO2/c1-13-6-4-5-7-14(12-13)16-10-8-15(17-2,18-3)9-11-16/h4-7,12,14H,8-11H2,1-3H3
InChIKeyOHJMBMJXWARXSE-UHFFFAOYSA-N
XLogP2.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine 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 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine?
The IUPAC name of 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine (CID 142942230) is 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine.
What is the SMILES notation for 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine?
The canonical SMILES for 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine is COC1(OC)CCN(C2C=CC=CC(C)=C2)CC1.
What is the InChIKey of 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine?
The InChIKey is OHJMBMJXWARXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-6-4-5-7-14(12-13)16-10-8-15(17-2,18-3)9-11-16/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine?
4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine has a molecular weight of 249.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-1-(3-methylcyclohepta-2,4,6-trien-1-yl)piperidine is sourced from PubChem (CID 142942230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).