2-(4-methoxybutyl)-2-methylpiperidine

C11H23NO — CID 117271567

IUPAC2-(4-methoxybutyl)-2-methylpiperidine
SMILESCOCCCCC1(C)CCCCN1
InChIInChI=1S/C11H23NO/c1-11(7-3-5-9-12-11)8-4-6-10-13-2/h12H,3-10H2,1-2H3
InChIKeyXJMDXDJCCQYTPS-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds5

About 2-(4-methoxybutyl)-2-methylpiperidine

2-(4-methoxybutyl)-2-methylpiperidine (PubChem CID 117271567) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-2-methylpiperidine.

Molecular Properties

Compound Name2-(4-methoxybutyl)-2-methylpiperidine
PubChem CID117271567
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(4-methoxybutyl)-2-methylpiperidine
SMILESCOCCCCC1(C)CCCCN1
InChIInChI=1S/C11H23NO/c1-11(7-3-5-9-12-11)8-4-6-10-13-2/h12H,3-10H2,1-2H3
InChIKeyXJMDXDJCCQYTPS-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 2-(4-methoxybutyl)-2-methylpiperidine?
The IUPAC name of 2-(4-methoxybutyl)-2-methylpiperidine (CID 117271567) is 2-(4-methoxybutyl)-2-methylpiperidine.
What is the SMILES notation for 2-(4-methoxybutyl)-2-methylpiperidine?
The canonical SMILES for 2-(4-methoxybutyl)-2-methylpiperidine is COCCCCC1(C)CCCCN1.
What is the InChIKey of 2-(4-methoxybutyl)-2-methylpiperidine?
The InChIKey is XJMDXDJCCQYTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(7-3-5-9-12-11)8-4-6-10-13-2/h12H,3-10H2,1-2H3.
What are the key properties of 2-(4-methoxybutyl)-2-methylpiperidine?
2-(4-methoxybutyl)-2-methylpiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-2-methylpiperidine is sourced from PubChem (CID 117271567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).