3-(3,7-dimethyloctoxy)-1-methylpiperidine

C16H33NO — CID 70122944

IUPAC3-(3,7-dimethyloctoxy)-1-methylpiperidine
SMILESCC(C)CCCC(C)CCOC1CCCN(C)C1
InChIInChI=1S/C16H33NO/c1-14(2)7-5-8-15(3)10-12-18-16-9-6-11-17(4)13-16/h14-16H,5-13H2,1-4H3
InChIKeyAVWWKPIGXYNDSM-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.95
Rot. Bonds8

About 3-(3,7-dimethyloctoxy)-1-methylpiperidine

3-(3,7-dimethyloctoxy)-1-methylpiperidine (PubChem CID 70122944) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-(3,7-dimethyloctoxy)-1-methylpiperidine.

Molecular Properties

Compound Name3-(3,7-dimethyloctoxy)-1-methylpiperidine
PubChem CID70122944
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-(3,7-dimethyloctoxy)-1-methylpiperidine
SMILESCC(C)CCCC(C)CCOC1CCCN(C)C1
InChIInChI=1S/C16H33NO/c1-14(2)7-5-8-15(3)10-12-18-16-9-6-11-17(4)13-16/h14-16H,5-13H2,1-4H3
InChIKeyAVWWKPIGXYNDSM-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethyloctoxy)-1-methylpiperidine?
The IUPAC name of 3-(3,7-dimethyloctoxy)-1-methylpiperidine (CID 70122944) is 3-(3,7-dimethyloctoxy)-1-methylpiperidine.
What is the SMILES notation for 3-(3,7-dimethyloctoxy)-1-methylpiperidine?
The canonical SMILES for 3-(3,7-dimethyloctoxy)-1-methylpiperidine is CC(C)CCCC(C)CCOC1CCCN(C)C1.
What is the InChIKey of 3-(3,7-dimethyloctoxy)-1-methylpiperidine?
The InChIKey is AVWWKPIGXYNDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)7-5-8-15(3)10-12-18-16-9-6-11-17(4)13-16/h14-16H,5-13H2,1-4H3.
What are the key properties of 3-(3,7-dimethyloctoxy)-1-methylpiperidine?
3-(3,7-dimethyloctoxy)-1-methylpiperidine has a molecular weight of 255.45 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyloctoxy)-1-methylpiperidine is sourced from PubChem (CID 70122944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).