4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol

C13H17BrFNO — CID 54971409

IUPAC4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C13H17BrFNO/c1-16-6-4-13(17,5-7-16)9-10-2-3-12(15)11(14)8-10/h2-3,8,17H,4-7,9H2,1H3
InChIKeyKHZSRFUYZKSONG-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.59
Rot. Bonds2

About 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol

4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 54971409) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID54971409
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C13H17BrFNO/c1-16-6-4-13(17,5-7-16)9-10-2-3-12(15)11(14)8-10/h2-3,8,17H,4-7,9H2,1H3
InChIKeyKHZSRFUYZKSONG-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol (CID 54971409) is 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol is CN1CCC(O)(Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is KHZSRFUYZKSONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-16-6-4-13(17,5-7-16)9-10-2-3-12(15)11(14)8-10/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol?
4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 302.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorophenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 54971409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).