1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine

C21H29NO — CID 11573193

IUPAC1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
SMILESCOc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
InChIInChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
InChIKeyPIILAVXTKIZGHR-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.90
Rot. Bonds5

About 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine

1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine (PubChem CID 11573193) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
PubChem CID11573193
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
SMILESCOc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1
InChIInChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3
InChIKeyPIILAVXTKIZGHR-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-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 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine (CID 11573193) is 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine is COc1ccc2c(CCCN3CCCC(C)(C)C3)cccc2c1.
What is the InChIKey of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
The InChIKey is PIILAVXTKIZGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3.
What are the key properties of 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine?
1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine has a molecular weight of 311.47 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine is sourced from PubChem (CID 11573193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).