2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol

C16H22F3NO — CID 67533716

IUPAC2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
SMILESCC(C)CN1CCC(c2cccc(C(F)(F)F)c2O)CC1
InChIInChI=1S/C16H22F3NO/c1-11(2)10-20-8-6-12(7-9-20)13-4-3-5-14(15(13)21)16(17,18)19/h3-5,11-12,21H,6-10H2,1-2H3
InChIKeyORJVODUKLHMZOB-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.25
Rot. Bonds3

About 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol

2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol (PubChem CID 67533716) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
PubChem CID67533716
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol
SMILESCC(C)CN1CCC(c2cccc(C(F)(F)F)c2O)CC1
InChIInChI=1S/C16H22F3NO/c1-11(2)10-20-8-6-12(7-9-20)13-4-3-5-14(15(13)21)16(17,18)19/h3-5,11-12,21H,6-10H2,1-2H3
InChIKeyORJVODUKLHMZOB-UHFFFAOYSA-N
XLogP4.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol (CID 67533716) is 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol is CC(C)CN1CCC(c2cccc(C(F)(F)F)c2O)CC1.
What is the InChIKey of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
The InChIKey is ORJVODUKLHMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11(2)10-20-8-6-12(7-9-20)13-4-3-5-14(15(13)21)16(17,18)19/h3-5,11-12,21H,6-10H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol?
2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol has a molecular weight of 301.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)piperidin-4-yl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 67533716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).