1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine

C16H24FNO — CID 44592097

IUPAC1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine
SMILESFCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C16H24FNO/c17-10-9-15-5-7-16(8-6-15)19-14-4-13-18-11-2-1-3-12-18/h5-8H,1-4,9-14H2
InChIKeyCKQQSVANJMAKBB-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.45
Rot. Bonds7

About 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine

1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine (PubChem CID 44592097) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine
PubChem CID44592097
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine
SMILESFCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C16H24FNO/c17-10-9-15-5-7-16(8-6-15)19-14-4-13-18-11-2-1-3-12-18/h5-8H,1-4,9-14H2
InChIKeyCKQQSVANJMAKBB-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.45
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-(2-fluoroethyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine (CID 44592097) is 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine is FCCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine?
The InChIKey is CKQQSVANJMAKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c17-10-9-15-5-7-16(8-6-15)19-14-4-13-18-11-2-1-3-12-18/h5-8H,1-4,9-14H2.
What are the key properties of 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine?
1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine has a molecular weight of 265.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluoroethyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 44592097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).