4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine

C17H23NO2 — CID 11572611

IUPAC4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
SMILESCOc1cc2c(cc1OC)CC(CC1CCNCC1)=C2
InChIInChI=1S/C17H23NO2/c1-19-16-10-14-8-13(7-12-3-5-18-6-4-12)9-15(14)11-17(16)20-2/h8,10-12,18H,3-7,9H2,1-2H3
InChIKeyLUXMLXIMMAUHBS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds4

About 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine

4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine (PubChem CID 11572611) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
PubChem CID11572611
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
SMILESCOc1cc2c(cc1OC)CC(CC1CCNCC1)=C2
InChIInChI=1S/C17H23NO2/c1-19-16-10-14-8-13(7-12-3-5-18-6-4-12)9-15(14)11-17(16)20-2/h8,10-12,18H,3-7,9H2,1-2H3
InChIKeyLUXMLXIMMAUHBS-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]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-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine?
The IUPAC name of 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine (CID 11572611) is 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine is COc1cc2c(cc1OC)CC(CC1CCNCC1)=C2.
What is the InChIKey of 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine?
The InChIKey is LUXMLXIMMAUHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-19-16-10-14-8-13(7-12-3-5-18-6-4-12)9-15(14)11-17(16)20-2/h8,10-12,18H,3-7,9H2,1-2H3.
What are the key properties of 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine?
4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine has a molecular weight of 273.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine is sourced from PubChem (CID 11572611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).