4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol

C12H13BrF3NO — CID 117104002

IUPAC4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cc(C(F)(F)F)ccc2Br)CCNCC1
InChIInChI=1S/C12H13BrF3NO/c13-10-2-1-8(12(14,15)16)7-9(10)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2
InChIKeySLHDQFCEDNYXKW-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.04
Rot. Bonds1

About 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol

4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 117104002) has the molecular formula C12H13BrF3NO and a molecular weight of 324.14 g/mol. Its IUPAC name is 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID117104002
Molecular FormulaC12H13BrF3NO
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC Name4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cc(C(F)(F)F)ccc2Br)CCNCC1
InChIInChI=1S/C12H13BrF3NO/c13-10-2-1-8(12(14,15)16)7-9(10)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2
InChIKeySLHDQFCEDNYXKW-UHFFFAOYSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol (CID 117104002) is 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cc(C(F)(F)F)ccc2Br)CCNCC1.
What is the InChIKey of 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is SLHDQFCEDNYXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO/c13-10-2-1-8(12(14,15)16)7-9(10)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2.
What are the key properties of 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol?
4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 324.14 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 117104002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).