4-methoxy-4-(3-methylbutyl)piperidine

C11H23NO — CID 105441855

IUPAC4-methoxy-4-(3-methylbutyl)piperidine
SMILESCOC1(CCC(C)C)CCNCC1
InChIInChI=1S/C11H23NO/c1-10(2)4-5-11(13-3)6-8-12-9-7-11/h10,12H,4-9H2,1-3H3
InChIKeyAWGSUDJQXROXHW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About 4-methoxy-4-(3-methylbutyl)piperidine

4-methoxy-4-(3-methylbutyl)piperidine (PubChem CID 105441855) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methoxy-4-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name4-methoxy-4-(3-methylbutyl)piperidine
PubChem CID105441855
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methoxy-4-(3-methylbutyl)piperidine
SMILESCOC1(CCC(C)C)CCNCC1
InChIInChI=1S/C11H23NO/c1-10(2)4-5-11(13-3)6-8-12-9-7-11/h10,12H,4-9H2,1-3H3
InChIKeyAWGSUDJQXROXHW-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-(3-methylbutyl)piperidine?
The IUPAC name of 4-methoxy-4-(3-methylbutyl)piperidine (CID 105441855) is 4-methoxy-4-(3-methylbutyl)piperidine.
What is the SMILES notation for 4-methoxy-4-(3-methylbutyl)piperidine?
The canonical SMILES for 4-methoxy-4-(3-methylbutyl)piperidine is COC1(CCC(C)C)CCNCC1.
What is the InChIKey of 4-methoxy-4-(3-methylbutyl)piperidine?
The InChIKey is AWGSUDJQXROXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)4-5-11(13-3)6-8-12-9-7-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-4-(3-methylbutyl)piperidine?
4-methoxy-4-(3-methylbutyl)piperidine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(3-methylbutyl)piperidine is sourced from PubChem (CID 105441855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).