3-(2-methoxybutyl)-1-methylpiperidine

C11H23NO — CID 89265048

IUPAC3-(2-methoxybutyl)-1-methylpiperidine
SMILESCCC(CC1CCCN(C)C1)OC
InChIInChI=1S/C11H23NO/c1-4-11(13-3)8-10-6-5-7-12(2)9-10/h10-11H,4-9H2,1-3H3
InChIKeyQSINZPSKAIRAEP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds4

About 3-(2-methoxybutyl)-1-methylpiperidine

3-(2-methoxybutyl)-1-methylpiperidine (PubChem CID 89265048) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(2-methoxybutyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-(2-methoxybutyl)-1-methylpiperidine
PubChem CID89265048
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(2-methoxybutyl)-1-methylpiperidine
SMILESCCC(CC1CCCN(C)C1)OC
InChIInChI=1S/C11H23NO/c1-4-11(13-3)8-10-6-5-7-12(2)9-10/h10-11H,4-9H2,1-3H3
InChIKeyQSINZPSKAIRAEP-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxybutyl)-1-methylpiperidine?
The IUPAC name of 3-(2-methoxybutyl)-1-methylpiperidine (CID 89265048) is 3-(2-methoxybutyl)-1-methylpiperidine.
What is the SMILES notation for 3-(2-methoxybutyl)-1-methylpiperidine?
The canonical SMILES for 3-(2-methoxybutyl)-1-methylpiperidine is CCC(CC1CCCN(C)C1)OC.
What is the InChIKey of 3-(2-methoxybutyl)-1-methylpiperidine?
The InChIKey is QSINZPSKAIRAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-11(13-3)8-10-6-5-7-12(2)9-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-(2-methoxybutyl)-1-methylpiperidine?
3-(2-methoxybutyl)-1-methylpiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxybutyl)-1-methylpiperidine is sourced from PubChem (CID 89265048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).