1-(4-phenoxybutyl)piperidine

C15H23NO — CID 2057411

IUPAC1-(4-phenoxybutyl)piperidine
SMILESc1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-9-15(10-4-1)17-14-8-7-13-16-11-5-2-6-12-16/h1,3-4,9-10H,2,5-8,11-14H2
InChIKeyXLDXCWGOXWMBAX-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.33
Rot. Bonds6

About 1-(4-phenoxybutyl)piperidine

1-(4-phenoxybutyl)piperidine (PubChem CID 2057411) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(4-phenoxybutyl)piperidine.

Molecular Properties

Compound Name1-(4-phenoxybutyl)piperidine
PubChem CID2057411
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(4-phenoxybutyl)piperidine
SMILESc1ccc(OCCCCN2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-9-15(10-4-1)17-14-8-7-13-16-11-5-2-6-12-16/h1,3-4,9-10H,2,5-8,11-14H2
InChIKeyXLDXCWGOXWMBAX-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.33
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-phenoxybutyl)piperidine?
The IUPAC name of 1-(4-phenoxybutyl)piperidine (CID 2057411) is 1-(4-phenoxybutyl)piperidine.
What is the SMILES notation for 1-(4-phenoxybutyl)piperidine?
The canonical SMILES for 1-(4-phenoxybutyl)piperidine is c1ccc(OCCCCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-phenoxybutyl)piperidine?
The InChIKey is XLDXCWGOXWMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-9-15(10-4-1)17-14-8-7-13-16-11-5-2-6-12-16/h1,3-4,9-10H,2,5-8,11-14H2.
What are the key properties of 1-(4-phenoxybutyl)piperidine?
1-(4-phenoxybutyl)piperidine has a molecular weight of 233.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxybutyl)piperidine is sourced from PubChem (CID 2057411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).