1-(4-methylpentoxy)piperidine

C11H23NO — CID 59747996

IUPAC1-(4-methylpentoxy)piperidine
SMILESCC(C)CCCON1CCCCC1
InChIInChI=1S/C11H23NO/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h11H,3-10H2,1-2H3
InChIKeyMUHPLIVTJAIQLW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.84
Rot. Bonds5

About 1-(4-methylpentoxy)piperidine

1-(4-methylpentoxy)piperidine (PubChem CID 59747996) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(4-methylpentoxy)piperidine.

Molecular Properties

Compound Name1-(4-methylpentoxy)piperidine
PubChem CID59747996
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(4-methylpentoxy)piperidine
SMILESCC(C)CCCON1CCCCC1
InChIInChI=1S/C11H23NO/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h11H,3-10H2,1-2H3
InChIKeyMUHPLIVTJAIQLW-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.84
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-(4-methylpentoxy)piperidine?
The IUPAC name of 1-(4-methylpentoxy)piperidine (CID 59747996) is 1-(4-methylpentoxy)piperidine.
What is the SMILES notation for 1-(4-methylpentoxy)piperidine?
The canonical SMILES for 1-(4-methylpentoxy)piperidine is CC(C)CCCON1CCCCC1.
What is the InChIKey of 1-(4-methylpentoxy)piperidine?
The InChIKey is MUHPLIVTJAIQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2)7-6-10-13-12-8-4-3-5-9-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(4-methylpentoxy)piperidine?
1-(4-methylpentoxy)piperidine has a molecular weight of 185.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)piperidine is sourced from PubChem (CID 59747996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).