3-[(4-bromo-3-fluorophenoxy)methyl]piperidine

C12H15BrFNO — CID 65203857

IUPAC3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
SMILESFc1cc(OCC2CCCNC2)ccc1Br
InChIInChI=1S/C12H15BrFNO/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyRYNKJWVQONISGG-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.97
Rot. Bonds3

About 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine

3-[(4-bromo-3-fluorophenoxy)methyl]piperidine (PubChem CID 65203857) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
PubChem CID65203857
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
SMILESFc1cc(OCC2CCCNC2)ccc1Br
InChIInChI=1S/C12H15BrFNO/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2
InChIKeyRYNKJWVQONISGG-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-bromo-3-fluorophenoxy)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

Related Compounds

2-fluoro-4-(piperidin-3-ylmethoxy)aniline;dihydrochloride
CID 164576780
3-[(4-bromo-3-methylphenoxy)methyl]piperidine;hydrochloride
CID 56830761
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
The IUPAC name of 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine (CID 65203857) is 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine is Fc1cc(OCC2CCCNC2)ccc1Br.
What is the InChIKey of 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
The InChIKey is RYNKJWVQONISGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-4-3-10(6-12(11)14)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2.
What are the key properties of 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine?
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine has a molecular weight of 288.16 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-3-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 65203857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).