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

C15H19F4NO — CID 69465038

IUPAC4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol
SMILESCC(C)(c1cccc(C(F)(F)F)c1F)C1(O)CCNCC1
InChIInChI=1S/C15H19F4NO/c1-13(2,14(21)6-8-20-9-7-14)10-4-3-5-11(12(10)16)15(17,18)19/h3-5,20-21H,6-9H2,1-2H3
InChIKeyZZQQMWCHOYFFTC-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.24
Rot. Bonds2

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

4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol (PubChem CID 69465038) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol
PubChem CID69465038
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol
SMILESCC(C)(c1cccc(C(F)(F)F)c1F)C1(O)CCNCC1
InChIInChI=1S/C15H19F4NO/c1-13(2,14(21)6-8-20-9-7-14)10-4-3-5-11(12(10)16)15(17,18)19/h3-5,20-21H,6-9H2,1-2H3
InChIKeyZZQQMWCHOYFFTC-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol?
The IUPAC name of 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol (CID 69465038) is 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol?
The canonical SMILES for 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol is CC(C)(c1cccc(C(F)(F)F)c1F)C1(O)CCNCC1.
What is the InChIKey of 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol?
The InChIKey is ZZQQMWCHOYFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-13(2,14(21)6-8-20-9-7-14)10-4-3-5-11(12(10)16)15(17,18)19/h3-5,20-21H,6-9H2,1-2H3.
What are the key properties of 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol?
4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol has a molecular weight of 305.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-yl]piperidin-4-ol is sourced from PubChem (CID 69465038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).