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

C11H13BrFN — CID 130628517

IUPAC(3R)-3-(2-bromo-3-fluorophenyl)piperidine
SMILESFc1cccc([C@H]2CCCNC2)c1Br
InChIInChI=1S/C11H13BrFN/c12-11-9(4-1-5-10(11)13)8-3-2-6-14-7-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m0/s1
InChIKeyRZMBMHCWIGZCHF-QMMMGPOBSA-N
MW258.13 g/mol
LogP3.06
Rot. Bonds1

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

(3R)-3-(2-bromo-3-fluorophenyl)piperidine (PubChem CID 130628517) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is (3R)-3-(2-bromo-3-fluorophenyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(2-bromo-3-fluorophenyl)piperidine
PubChem CID130628517
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name(3R)-3-(2-bromo-3-fluorophenyl)piperidine
SMILESFc1cccc([C@H]2CCCNC2)c1Br
InChIInChI=1S/C11H13BrFN/c12-11-9(4-1-5-10(11)13)8-3-2-6-14-7-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m0/s1
InChIKeyRZMBMHCWIGZCHF-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

(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(1-bromonaphthalen-2-yl)piperidine
CID 165357301
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
CID 117472474
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
3-(2,3-dichlorophenyl)piperidine
CID 24904244
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
4-(2,3-difluorophenyl)azepane
CID 83262443
3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
CID 117103970
4-(2-bromo-3-fluorophenyl)oxane
CID 117104485
3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromo-3-fluorophenyl)piperidine?
The IUPAC name of (3R)-3-(2-bromo-3-fluorophenyl)piperidine (CID 130628517) is (3R)-3-(2-bromo-3-fluorophenyl)piperidine.
What is the SMILES notation for (3R)-3-(2-bromo-3-fluorophenyl)piperidine?
The canonical SMILES for (3R)-3-(2-bromo-3-fluorophenyl)piperidine is Fc1cccc([C@H]2CCCNC2)c1Br.
What is the InChIKey of (3R)-3-(2-bromo-3-fluorophenyl)piperidine?
The InChIKey is RZMBMHCWIGZCHF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-11-9(4-1-5-10(11)13)8-3-2-6-14-7-8/h1,4-5,8,14H,2-3,6-7H2/t8-/m0/s1.
What are the key properties of (3R)-3-(2-bromo-3-fluorophenyl)piperidine?
(3R)-3-(2-bromo-3-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-3-fluorophenyl)piperidine is sourced from PubChem (CID 130628517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).