1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol

C13H15BrF3NO — CID 114680873

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccc(Br)cc2C(F)(F)F)CCC1O
InChIInChI=1S/C13H15BrF3NO/c1-8-7-18(5-4-12(8)19)11-3-2-9(14)6-10(11)13(15,16)17/h2-3,6,8,12,19H,4-5,7H2,1H3
InChIKeyHJSKJBKNSCEZMJ-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.67
Rot. Bonds1

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol

1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol (PubChem CID 114680873) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
PubChem CID114680873
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2ccc(Br)cc2C(F)(F)F)CCC1O
InChIInChI=1S/C13H15BrF3NO/c1-8-7-18(5-4-12(8)19)11-3-2-9(14)6-10(11)13(15,16)17/h2-3,6,8,12,19H,4-5,7H2,1H3
InChIKeyHJSKJBKNSCEZMJ-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol (CID 114680873) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol is CC1CN(c2ccc(Br)cc2C(F)(F)F)CCC1O.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol?
The InChIKey is HJSKJBKNSCEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-8-7-18(5-4-12(8)19)11-3-2-9(14)6-10(11)13(15,16)17/h2-3,6,8,12,19H,4-5,7H2,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol?
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol has a molecular weight of 338.17 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114680873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).