3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine

C15H22FNO — CID 173058504

IUPAC3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine
SMILESFc1cccc(CCOCCC2CCCNC2)c1
InChIInChI=1S/C15H22FNO/c16-15-5-1-3-13(11-15)6-9-18-10-7-14-4-2-8-17-12-14/h1,3,5,11,14,17H,2,4,6-10,12H2
InChIKeyAEMYYGIJFJNOJA-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.77
Rot. Bonds6

About 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine

3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine (PubChem CID 173058504) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine
PubChem CID173058504
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine
SMILESFc1cccc(CCOCCC2CCCNC2)c1
InChIInChI=1S/C15H22FNO/c16-15-5-1-3-13(11-15)6-9-18-10-7-14-4-2-8-17-12-14/h1,3,5,11,14,17H,2,4,6-10,12H2
InChIKeyAEMYYGIJFJNOJA-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
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 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine?
The IUPAC name of 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine (CID 173058504) is 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine.
What is the SMILES notation for 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine?
The canonical SMILES for 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine is Fc1cccc(CCOCCC2CCCNC2)c1.
What is the InChIKey of 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine?
The InChIKey is AEMYYGIJFJNOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c16-15-5-1-3-13(11-15)6-9-18-10-7-14-4-2-8-17-12-14/h1,3,5,11,14,17H,2,4,6-10,12H2.
What are the key properties of 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine?
3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine has a molecular weight of 251.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-fluorophenyl)ethoxy]ethyl]piperidine is sourced from PubChem (CID 173058504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).