2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol

C13H17BrFNO — CID 106634576

IUPAC2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
SMILESOC(Cc1ccc(Br)cc1F)C1CCCCN1
InChIInChI=1S/C13H17BrFNO/c14-10-5-4-9(11(15)8-10)7-13(17)12-3-1-2-6-16-12/h4-5,8,12-13,16-17H,1-3,6-7H2
InChIKeySZEWSCVKWAGOJI-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol

2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol (PubChem CID 106634576) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
PubChem CID106634576
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
SMILESOC(Cc1ccc(Br)cc1F)C1CCCCN1
InChIInChI=1S/C13H17BrFNO/c14-10-5-4-9(11(15)8-10)7-13(17)12-3-1-2-6-16-12/h4-5,8,12-13,16-17H,1-3,6-7H2
InChIKeySZEWSCVKWAGOJI-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-pyrrolidin-2-ylethanol
CID 106640010
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
2-(4-bromo-2-fluorophenyl)-1-(thian-2-yl)ethanol
CID 80621746
2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 65422333
2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65411188
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-2-ol
CID 65148579

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol (CID 106634576) is 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol is OC(Cc1ccc(Br)cc1F)C1CCCCN1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol?
The InChIKey is SZEWSCVKWAGOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-10-5-4-9(11(15)8-10)7-13(17)12-3-1-2-6-16-12/h4-5,8,12-13,16-17H,1-3,6-7H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol?
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol has a molecular weight of 302.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol is sourced from PubChem (CID 106634576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).