(3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine

C12H15BrFNO — CID 26190910

IUPAC(3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine
SMILESFc1cc(Br)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C12H15BrFNO/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m1/s1
InChIKeyZSTNNLOBUGKBRG-SECBINFHSA-N
MW288.16 g/mol
LogP2.97
Rot. Bonds3

About (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine

(3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine (PubChem CID 26190910) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine
PubChem CID26190910
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name(3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine
SMILESFc1cc(Br)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C12H15BrFNO/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m1/s1
InChIKeyZSTNNLOBUGKBRG-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine (CID 26190910) is (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine is Fc1cc(Br)ccc1OC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine?
The InChIKey is ZSTNNLOBUGKBRG-SECBINFHSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7-8H2/t9-/m1/s1.
What are the key properties of (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine?
(3R)-3-[(4-bromo-2-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 (3R)-3-[(4-bromo-2-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 26190910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).