4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol

C15H19F4NO — CID 69464493

IUPAC4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol
SMILESOC1(CCCc2cccc(F)c2C(F)(F)F)CCNCC1
InChIInChI=1S/C15H19F4NO/c16-12-5-1-3-11(13(12)15(17,18)19)4-2-6-14(21)7-9-20-10-8-14/h1,3,5,20-21H,2,4,6-10H2
InChIKeyFIARXYOGHAKCMV-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.28
Rot. Bonds4

About 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol

4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol (PubChem CID 69464493) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol
PubChem CID69464493
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol
SMILESOC1(CCCc2cccc(F)c2C(F)(F)F)CCNCC1
InChIInChI=1S/C15H19F4NO/c16-12-5-1-3-11(13(12)15(17,18)19)4-2-6-14(21)7-9-20-10-8-14/h1,3,5,20-21H,2,4,6-10H2
InChIKeyFIARXYOGHAKCMV-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol?
The IUPAC name of 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol (CID 69464493) is 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol.
What is the SMILES notation for 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol?
The canonical SMILES for 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol is OC1(CCCc2cccc(F)c2C(F)(F)F)CCNCC1.
What is the InChIKey of 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol?
The InChIKey is FIARXYOGHAKCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c16-12-5-1-3-11(13(12)15(17,18)19)4-2-6-14(21)7-9-20-10-8-14/h1,3,5,20-21H,2,4,6-10H2.
What are the key properties of 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol?
4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol has a molecular weight of 305.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-fluoro-2-(trifluoromethyl)phenyl]propyl]piperidin-4-ol is sourced from PubChem (CID 69464493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).