4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol

C12H15BrFNO — CID 155415164

IUPAC4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO/c1-15-6-4-12(16,5-7-15)10-3-2-9(13)8-11(10)14/h2-3,8,16H,4-7H2,1H3
InChIKeyOCICYASMSSBUJJ-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.50
Rot. Bonds1

About 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol

4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol (PubChem CID 155415164) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
PubChem CID155415164
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H15BrFNO/c1-15-6-4-12(16,5-7-15)10-3-2-9(13)8-11(10)14/h2-3,8,16H,4-7H2,1H3
InChIKeyOCICYASMSSBUJJ-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol (CID 155415164) is 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol is CN1CCC(O)(c2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol?
The InChIKey is OCICYASMSSBUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-15-6-4-12(16,5-7-15)10-3-2-9(13)8-11(10)14/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol?
4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol has a molecular weight of 288.16 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 155415164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).