(3R)-3-(2-bromo-5-fluorophenyl)piperidine

C11H13BrFN — CID 130626655

IUPAC(3R)-3-(2-bromo-5-fluorophenyl)piperidine
SMILESFc1ccc(Br)c([C@H]2CCCNC2)c1
InChIInChI=1S/C11H13BrFN/c12-11-4-3-9(13)6-10(11)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyMXJCXSJXEQULPQ-QMMMGPOBSA-N
MW258.13 g/mol
LogP3.06
Rot. Bonds1

About (3R)-3-(2-bromo-5-fluorophenyl)piperidine

(3R)-3-(2-bromo-5-fluorophenyl)piperidine (PubChem CID 130626655) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is (3R)-3-(2-bromo-5-fluorophenyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(2-bromo-5-fluorophenyl)piperidine
PubChem CID130626655
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name(3R)-3-(2-bromo-5-fluorophenyl)piperidine
SMILESFc1ccc(Br)c([C@H]2CCCNC2)c1
InChIInChI=1S/C11H13BrFN/c12-11-4-3-9(13)6-10(11)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
InChIKeyMXJCXSJXEQULPQ-QMMMGPOBSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-fluoro-3-piperidin-3-yl-1H-indole
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3-(2-chloro-5-fluorophenyl)pyrrolidine
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CID 96760582
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
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CID 117456883
3-(5-fluoro-2-methylphenyl)pyrrolidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromo-5-fluorophenyl)piperidine?
The IUPAC name of (3R)-3-(2-bromo-5-fluorophenyl)piperidine (CID 130626655) is (3R)-3-(2-bromo-5-fluorophenyl)piperidine.
What is the SMILES notation for (3R)-3-(2-bromo-5-fluorophenyl)piperidine?
The canonical SMILES for (3R)-3-(2-bromo-5-fluorophenyl)piperidine is Fc1ccc(Br)c([C@H]2CCCNC2)c1.
What is the InChIKey of (3R)-3-(2-bromo-5-fluorophenyl)piperidine?
The InChIKey is MXJCXSJXEQULPQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-11-4-3-9(13)6-10(11)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1.
What are the key properties of (3R)-3-(2-bromo-5-fluorophenyl)piperidine?
(3R)-3-(2-bromo-5-fluorophenyl)piperidine has a molecular weight of 258.13 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-bromo-5-fluorophenyl)piperidine is sourced from PubChem (CID 130626655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).