1-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C12H14F3NO — CID 3018309

IUPAC1-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-2-1-3-10(8-9)16-6-4-11(17)5-7-16/h1-3,8,11,17H,4-7H2
InChIKeyCAEKNRWCZUHTDC-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 3018309) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID3018309
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-2-1-3-10(8-9)16-6-4-11(17)5-7-16/h1-3,8,11,17H,4-7H2
InChIKeyCAEKNRWCZUHTDC-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 3018309) is 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is CAEKNRWCZUHTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)9-2-1-3-10(8-9)16-6-4-11(17)5-7-16/h1-3,8,11,17H,4-7H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 245.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 3018309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).