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

C11H14BrClFN — CID 171195428

IUPAC(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1c(Br)cccc1[C@H]1CCCCN1
InChIInChI=1S/C11H13BrFN.ClH/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10;/h3-5,10,14H,1-2,6-7H2;1H/t10-;/m1./s1
InChIKeyMQZVTAUEVODLCC-HNCPQSOCSA-N
MW294.59 g/mol
LogP3.82
Rot. Bonds1

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

(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride (PubChem CID 171195428) has the molecular formula C11H14BrClFN and a molecular weight of 294.59 g/mol. Its IUPAC name is (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
PubChem CID171195428
Molecular FormulaC11H14BrClFN
Molecular Weight294.59 g/mol
Exact Mass293.00
IUPAC Name(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
SMILESCl.Fc1c(Br)cccc1[C@H]1CCCCN1
InChIInChI=1S/C11H13BrFN.ClH/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10;/h3-5,10,14H,1-2,6-7H2;1H/t10-;/m1./s1
InChIKeyMQZVTAUEVODLCC-HNCPQSOCSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
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3-bromo-2-fluoro-6-[(2R)-pyrrolidin-2-yl]phenol
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CID 171194852

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride (CID 171195428) is (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride is Cl.Fc1c(Br)cccc1[C@H]1CCCCN1.
What is the InChIKey of (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride?
The InChIKey is MQZVTAUEVODLCC-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13BrFN.ClH/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10;/h3-5,10,14H,1-2,6-7H2;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride?
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride has a molecular weight of 294.59 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride is sourced from PubChem (CID 171195428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).