1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine

C21H25ClFNO2 — CID 70789893

IUPAC1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine
SMILESCCOc1cc(CN2CCCCC2)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H25ClFNO2/c1-2-25-20-13-17(14-24-10-4-3-5-11-24)12-19(22)21(20)26-15-16-6-8-18(23)9-7-16/h6-9,12-13H,2-5,10-11,14-15H2,1H3
InChIKeyQEQGOAHVAPWNFK-UHFFFAOYSA-N
MW377.89 g/mol
LogP5.44
Rot. Bonds7

About 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine

1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine (PubChem CID 70789893) has the molecular formula C21H25ClFNO2 and a molecular weight of 377.89 g/mol. Its IUPAC name is 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine
PubChem CID70789893
Molecular FormulaC21H25ClFNO2
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine
SMILESCCOc1cc(CN2CCCCC2)cc(Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C21H25ClFNO2/c1-2-25-20-13-17(14-24-10-4-3-5-11-24)12-19(22)21(20)26-15-16-6-8-18(23)9-7-16/h6-9,12-13H,2-5,10-11,14-15H2,1H3
InChIKeyQEQGOAHVAPWNFK-UHFFFAOYSA-N
XLogP5.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.89
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine 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 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine?
The IUPAC name of 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine (CID 70789893) is 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine?
The canonical SMILES for 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine is CCOc1cc(CN2CCCCC2)cc(Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine?
The InChIKey is QEQGOAHVAPWNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO2/c1-2-25-20-13-17(14-24-10-4-3-5-11-24)12-19(22)21(20)26-15-16-6-8-18(23)9-7-16/h6-9,12-13H,2-5,10-11,14-15H2,1H3.
What are the key properties of 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine?
1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine has a molecular weight of 377.89 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidine is sourced from PubChem (CID 70789893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).