4-[(2-bromo-4-fluorophenoxy)methyl]piperidine

C12H15BrFNO — CID 24902403

IUPAC4-[(2-bromo-4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCNCC2)c(Br)c1
InChIInChI=1S/C12H15BrFNO/c13-11-7-10(14)1-2-12(11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyGBNCCCAATROMCW-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.97
Rot. Bonds3

About 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine

4-[(2-bromo-4-fluorophenoxy)methyl]piperidine (PubChem CID 24902403) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenoxy)methyl]piperidine
PubChem CID24902403
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-[(2-bromo-4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OCC2CCNCC2)c(Br)c1
InChIInChI=1S/C12H15BrFNO/c13-11-7-10(14)1-2-12(11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2
InChIKeyGBNCCCAATROMCW-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

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Related Compounds

4-(4-Bromo-phenoxymethyl)-1-(3-fluoro-propyl)-piperidine
CID 10568394
4-(4-Bromo-phenoxymethyl)-1-cyclopropylmethyl-piperidine
CID 44290360
4-(3-Bromo-phenoxymethyl)-1-cyclopropylmethyl-piperidine
CID 44290522
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
1-[4-(2-Bromophenoxy)butyl]piperidine
CID 2304735
1-[4-(4-Bromophenoxy)butyl]-4-methylpiperidine
CID 2269735
1-[4-(2-Bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
4-[(3-Fluorophenoxy)methyl]piperidine
CID 17178045
4-(4-Bromophenoxy)piperidine
CID 12645566
3-(2-Phenoxyethyl)-piperidine
CID 22309125
4-(Phenoxymethyl)piperidinium chloride
CID 44144948
4-(3-Bromophenoxy)piperidine hydrochloride
CID 45075444

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
The IUPAC name of 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine (CID 24902403) is 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine is Fc1ccc(OCC2CCNCC2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
The InChIKey is GBNCCCAATROMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-7-10(14)1-2-12(11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2.
What are the key properties of 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine?
4-[(2-bromo-4-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 4-[(2-bromo-4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 24902403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).