2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine

C18H18Cl2FNO — CID 10132798

IUPAC2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine
SMILESCN1CCCCC1c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FNO/c1-22-9-3-2-4-17(22)14-10-12(21)5-8-18(14)23-13-6-7-15(19)16(20)11-13/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyOXYPLWPQQDDYFW-UHFFFAOYSA-N
MW354.25 g/mol
LogP6.08
Rot. Bonds3

About 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine

2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine (PubChem CID 10132798) has the molecular formula C18H18Cl2FNO and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine
PubChem CID10132798
Molecular FormulaC18H18Cl2FNO
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine
SMILESCN1CCCCC1c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FNO/c1-22-9-3-2-4-17(22)14-10-12(21)5-8-18(14)23-13-6-7-15(19)16(20)11-13/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyOXYPLWPQQDDYFW-UHFFFAOYSA-N
XLogP6.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.25
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine (CID 10132798) is 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine is CN1CCCCC1c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine?
The InChIKey is OXYPLWPQQDDYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO/c1-22-9-3-2-4-17(22)14-10-12(21)5-8-18(14)23-13-6-7-15(19)16(20)11-13/h5-8,10-11,17H,2-4,9H2,1H3.
What are the key properties of 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine?
2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine has a molecular weight of 354.25 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-1-methylpiperidine is sourced from PubChem (CID 10132798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).