3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine

C17H25F2NO — CID 56883779

IUPAC3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine
SMILESCCOCCN1CCCC(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H25F2NO/c1-2-21-11-10-20-9-3-4-15(13-20)6-5-14-7-8-16(18)17(19)12-14/h7-8,12,15H,2-6,9-11,13H2,1H3
InChIKeyXCYRXWBQYVMAEC-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.65
Rot. Bonds7

About 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine

3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine (PubChem CID 56883779) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine
PubChem CID56883779
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine
SMILESCCOCCN1CCCC(CCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H25F2NO/c1-2-21-11-10-20-9-3-4-15(13-20)6-5-14-7-8-16(18)17(19)12-14/h7-8,12,15H,2-6,9-11,13H2,1H3
InChIKeyXCYRXWBQYVMAEC-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.65
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 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine?
The IUPAC name of 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine (CID 56883779) is 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine is CCOCCN1CCCC(CCc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine?
The InChIKey is XCYRXWBQYVMAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-21-11-10-20-9-3-4-15(13-20)6-5-14-7-8-16(18)17(19)12-14/h7-8,12,15H,2-6,9-11,13H2,1H3.
What are the key properties of 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine?
3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine has a molecular weight of 297.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)ethyl]-1-(2-ethoxyethyl)piperidine is sourced from PubChem (CID 56883779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).