1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine

C15H22FNO — CID 44592096

IUPAC1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine
SMILESFCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C15H22FNO/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-13H2
InChIKeyJRFMDYWVKRGBGL-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.41
Rot. Bonds6

About 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine

1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine (PubChem CID 44592096) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine
PubChem CID44592096
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine
SMILESFCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C15H22FNO/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-13H2
InChIKeyJRFMDYWVKRGBGL-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.41
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-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine (CID 44592096) is 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine is FCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine?
The InChIKey is JRFMDYWVKRGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-13H2.
What are the key properties of 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine?
1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine has a molecular weight of 251.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 44592096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).