4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine

C25H34FNO — CID 68825204

IUPAC4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine
SMILESCCc1cccc(-c2c(F)cccc2C(CCCCOC)C2CCNCC2)c1
InChIInChI=1S/C25H34FNO/c1-3-19-8-6-9-21(18-19)25-23(11-7-12-24(25)26)22(10-4-5-17-28-2)20-13-15-27-16-14-20/h6-9,11-12,18,20,22,27H,3-5,10,13-17H2,1-2H3
InChIKeyLSEOGXWECJBKJF-UHFFFAOYSA-N
MW383.55 g/mol
LogP5.95
Rot. Bonds9

About 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine

4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine (PubChem CID 68825204) has the molecular formula C25H34FNO and a molecular weight of 383.55 g/mol. Its IUPAC name is 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine.

Molecular Properties

Compound Name4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine
PubChem CID68825204
Molecular FormulaC25H34FNO
Molecular Weight383.55 g/mol
Exact Mass383.26
IUPAC Name4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine
SMILESCCc1cccc(-c2c(F)cccc2C(CCCCOC)C2CCNCC2)c1
InChIInChI=1S/C25H34FNO/c1-3-19-8-6-9-21(18-19)25-23(11-7-12-24(25)26)22(10-4-5-17-28-2)20-13-15-27-16-14-20/h6-9,11-12,18,20,22,27H,3-5,10,13-17H2,1-2H3
InChIKeyLSEOGXWECJBKJF-UHFFFAOYSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.55
LogP ≤ 55.95
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 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine?
The IUPAC name of 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine (CID 68825204) is 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine.
What is the SMILES notation for 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine?
The canonical SMILES for 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine is CCc1cccc(-c2c(F)cccc2C(CCCCOC)C2CCNCC2)c1.
What is the InChIKey of 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine?
The InChIKey is LSEOGXWECJBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO/c1-3-19-8-6-9-21(18-19)25-23(11-7-12-24(25)26)22(10-4-5-17-28-2)20-13-15-27-16-14-20/h6-9,11-12,18,20,22,27H,3-5,10,13-17H2,1-2H3.
What are the key properties of 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine?
4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine has a molecular weight of 383.55 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-ethylphenyl)-3-fluorophenyl]-5-methoxypentyl]piperidine is sourced from PubChem (CID 68825204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).