3-[(3-bromo-2-fluorophenyl)methoxy]piperidine

C12H15BrFNO — CID 146023940

IUPAC3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
SMILESFc1c(Br)cccc1COC1CCCNC1
InChIInChI=1S/C12H15BrFNO/c13-11-5-1-3-9(12(11)14)8-16-10-4-2-6-15-7-10/h1,3,5,10,15H,2,4,6-8H2
InChIKeyZOQRIJZDZBHHBB-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.86
Rot. Bonds3

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

3-[(3-bromo-2-fluorophenyl)methoxy]piperidine (PubChem CID 146023940) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
PubChem CID146023940
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-[(3-bromo-2-fluorophenyl)methoxy]piperidine
SMILESFc1c(Br)cccc1COC1CCCNC1
InChIInChI=1S/C12H15BrFNO/c13-11-5-1-3-9(12(11)14)8-16-10-4-2-6-15-7-10/h1,3,5,10,15H,2,4,6-8H2
InChIKeyZOQRIJZDZBHHBB-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
CID 106939316
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
CID 79261213
3-[(2-bromo-4-nitrophenyl)methoxy]piperidine
CID 62329388
(3S)-3-[(2,4-dichlorophenyl)methoxy]piperidine
CID 66245197

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine?
The IUPAC name of 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine (CID 146023940) is 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine.
What is the SMILES notation for 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine?
The canonical SMILES for 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine is Fc1c(Br)cccc1COC1CCCNC1.
What is the InChIKey of 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine?
The InChIKey is ZOQRIJZDZBHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-5-1-3-9(12(11)14)8-16-10-4-2-6-15-7-10/h1,3,5,10,15H,2,4,6-8H2.
What are the key properties of 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine?
3-[(3-bromo-2-fluorophenyl)methoxy]piperidine has a molecular weight of 288.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-fluorophenyl)methoxy]piperidine is sourced from PubChem (CID 146023940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).