4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine

C21H25BrFNO — CID 153001968

IUPAC4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine
SMILESFc1cc(Br)ccc1COc1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C21H25BrFNO/c22-19-7-6-18(21(23)14-19)15-25-20-8-4-16(5-9-20)2-1-3-17-10-12-24-13-11-17/h4-9,14,17,24H,1-3,10-13,15H2
InChIKeyUYIJFWFRBKFISV-UHFFFAOYSA-N
MW406.34 g/mol
LogP5.49
Rot. Bonds7

About 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine

4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine (PubChem CID 153001968) has the molecular formula C21H25BrFNO and a molecular weight of 406.34 g/mol. Its IUPAC name is 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine.

Molecular Properties

Compound Name4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine
PubChem CID153001968
Molecular FormulaC21H25BrFNO
Molecular Weight406.34 g/mol
Exact Mass405.11
IUPAC Name4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine
SMILESFc1cc(Br)ccc1COc1ccc(CCCC2CCNCC2)cc1
InChIInChI=1S/C21H25BrFNO/c22-19-7-6-18(21(23)14-19)15-25-20-8-4-16(5-9-20)2-1-3-17-10-12-24-13-11-17/h4-9,14,17,24H,1-3,10-13,15H2
InChIKeyUYIJFWFRBKFISV-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]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 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine?
The IUPAC name of 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine (CID 153001968) is 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine.
What is the SMILES notation for 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine?
The canonical SMILES for 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine is Fc1cc(Br)ccc1COc1ccc(CCCC2CCNCC2)cc1.
What is the InChIKey of 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine?
The InChIKey is UYIJFWFRBKFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrFNO/c22-19-7-6-18(21(23)14-19)15-25-20-8-4-16(5-9-20)2-1-3-17-10-12-24-13-11-17/h4-9,14,17,24H,1-3,10-13,15H2.
What are the key properties of 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine?
4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine has a molecular weight of 406.34 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propyl]piperidine is sourced from PubChem (CID 153001968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).