4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine

C13H17BrFNO — CID 117486682

IUPAC4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)cc(CC2CCNCC2)c1Br
InChIInChI=1S/C13H17BrFNO/c1-17-12-8-11(15)7-10(13(12)14)6-9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3
InChIKeyOSWBTSWPLXODRX-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.14
Rot. Bonds3

About 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine

4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine (PubChem CID 117486682) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine
PubChem CID117486682
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)cc(CC2CCNCC2)c1Br
InChIInChI=1S/C13H17BrFNO/c1-17-12-8-11(15)7-10(13(12)14)6-9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3
InChIKeyOSWBTSWPLXODRX-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-bromo-5-fluoro-3-methoxyphenyl)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 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine (CID 117486682) is 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine is COc1cc(F)cc(CC2CCNCC2)c1Br.
What is the InChIKey of 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine?
The InChIKey is OSWBTSWPLXODRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-17-12-8-11(15)7-10(13(12)14)6-9-2-4-16-5-3-9/h7-9,16H,2-6H2,1H3.
What are the key properties of 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine?
4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine has a molecular weight of 302.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-fluoro-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117486682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).