1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine

C14H19BrFNO — CID 68698964

IUPAC1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine
SMILESFc1cc(Br)ccc1OCCCN1CCCCC1
InChIInChI=1S/C14H19BrFNO/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2
InChIKeySFRWPOYAPHEBCM-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.84
Rot. Bonds5

About 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine

1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine (PubChem CID 68698964) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine
PubChem CID68698964
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine
SMILESFc1cc(Br)ccc1OCCCN1CCCCC1
InChIInChI=1S/C14H19BrFNO/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2
InChIKeySFRWPOYAPHEBCM-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(4-bromo-2-fluorophenoxy)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 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine?
The IUPAC name of 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine (CID 68698964) is 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine.
What is the SMILES notation for 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine?
The canonical SMILES for 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine is Fc1cc(Br)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine?
The InChIKey is SFRWPOYAPHEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2.
What are the key properties of 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine?
1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine has a molecular weight of 316.21 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-fluorophenoxy)propyl]piperidine is sourced from PubChem (CID 68698964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).