1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine

C20H23ClFNO — CID 70113962

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCCCN2CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClFNO/c21-17-6-10-20(11-7-17)24-14-13-23-12-2-1-3-19(23)15-16-4-8-18(22)9-5-16/h4-11,19H,1-3,12-15H2
InChIKeyASSZIZOPIQWSAB-UHFFFAOYSA-N
MW347.86 g/mol
LogP4.96
Rot. Bonds6

About 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine

1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine (PubChem CID 70113962) has the molecular formula C20H23ClFNO and a molecular weight of 347.86 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
PubChem CID70113962
Molecular FormulaC20H23ClFNO
Molecular Weight347.86 g/mol
Exact Mass347.15
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCCCN2CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClFNO/c21-17-6-10-20(11-7-17)24-14-13-23-12-2-1-3-19(23)15-16-4-8-18(22)9-5-16/h4-11,19H,1-3,12-15H2
InChIKeyASSZIZOPIQWSAB-UHFFFAOYSA-N
XLogP4.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine (CID 70113962) is 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CC2CCCCN2CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is ASSZIZOPIQWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO/c21-17-6-10-20(11-7-17)24-14-13-23-12-2-1-3-19(23)15-16-4-8-18(22)9-5-16/h4-11,19H,1-3,12-15H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine?
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 347.86 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 70113962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).