1-methyl-3-(tridecan-6-yloxymethyl)piperidine

C20H41NO — CID 129119819

IUPAC1-methyl-3-(tridecan-6-yloxymethyl)piperidine
SMILESCCCCCCCC(CCCCC)OCC1CCCN(C)C1
InChIInChI=1S/C20H41NO/c1-4-6-8-9-11-15-20(14-10-7-5-2)22-18-19-13-12-16-21(3)17-19/h19-20H,4-18H2,1-3H3
InChIKeyRIBZXVNBLUDFDB-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.65
Rot. Bonds13

About 1-methyl-3-(tridecan-6-yloxymethyl)piperidine

1-methyl-3-(tridecan-6-yloxymethyl)piperidine (PubChem CID 129119819) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 1-methyl-3-(tridecan-6-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(tridecan-6-yloxymethyl)piperidine
PubChem CID129119819
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name1-methyl-3-(tridecan-6-yloxymethyl)piperidine
SMILESCCCCCCCC(CCCCC)OCC1CCCN(C)C1
InChIInChI=1S/C20H41NO/c1-4-6-8-9-11-15-20(14-10-7-5-2)22-18-19-13-12-16-21(3)17-19/h19-20H,4-18H2,1-3H3
InChIKeyRIBZXVNBLUDFDB-UHFFFAOYSA-N
XLogP5.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-3-(tridecan-6-yloxymethyl)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 1-methyl-3-(tridecan-6-yloxymethyl)piperidine?
The IUPAC name of 1-methyl-3-(tridecan-6-yloxymethyl)piperidine (CID 129119819) is 1-methyl-3-(tridecan-6-yloxymethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(tridecan-6-yloxymethyl)piperidine?
The canonical SMILES for 1-methyl-3-(tridecan-6-yloxymethyl)piperidine is CCCCCCCC(CCCCC)OCC1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-(tridecan-6-yloxymethyl)piperidine?
The InChIKey is RIBZXVNBLUDFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-4-6-8-9-11-15-20(14-10-7-5-2)22-18-19-13-12-16-21(3)17-19/h19-20H,4-18H2,1-3H3.
What are the key properties of 1-methyl-3-(tridecan-6-yloxymethyl)piperidine?
1-methyl-3-(tridecan-6-yloxymethyl)piperidine has a molecular weight of 311.55 g/mol, XLogP of 5.65, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(tridecan-6-yloxymethyl)piperidine is sourced from PubChem (CID 129119819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).