1-methyl-3-(nonan-4-yloxymethyl)piperidine

C16H33NO — CID 137470592

IUPAC1-methyl-3-(nonan-4-yloxymethyl)piperidine
SMILESCCCCCC(CCC)OCC1CCCN(C)C1
InChIInChI=1S/C16H33NO/c1-4-6-7-11-16(9-5-2)18-14-15-10-8-12-17(3)13-15/h15-16H,4-14H2,1-3H3
InChIKeyBPKMZVPQIVZKOI-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.09
Rot. Bonds9

About 1-methyl-3-(nonan-4-yloxymethyl)piperidine

1-methyl-3-(nonan-4-yloxymethyl)piperidine (PubChem CID 137470592) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-methyl-3-(nonan-4-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(nonan-4-yloxymethyl)piperidine
PubChem CID137470592
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-methyl-3-(nonan-4-yloxymethyl)piperidine
SMILESCCCCCC(CCC)OCC1CCCN(C)C1
InChIInChI=1S/C16H33NO/c1-4-6-7-11-16(9-5-2)18-14-15-10-8-12-17(3)13-15/h15-16H,4-14H2,1-3H3
InChIKeyBPKMZVPQIVZKOI-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(nonan-4-yloxymethyl)piperidine?
The IUPAC name of 1-methyl-3-(nonan-4-yloxymethyl)piperidine (CID 137470592) is 1-methyl-3-(nonan-4-yloxymethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(nonan-4-yloxymethyl)piperidine?
The canonical SMILES for 1-methyl-3-(nonan-4-yloxymethyl)piperidine is CCCCCC(CCC)OCC1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-(nonan-4-yloxymethyl)piperidine?
The InChIKey is BPKMZVPQIVZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-11-16(9-5-2)18-14-15-10-8-12-17(3)13-15/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-methyl-3-(nonan-4-yloxymethyl)piperidine?
1-methyl-3-(nonan-4-yloxymethyl)piperidine has a molecular weight of 255.45 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(nonan-4-yloxymethyl)piperidine is sourced from PubChem (CID 137470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).