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

C16H16F3N3O — CID 629598

IUPAC2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-10-14(22-8-4-1-5-9-22)21-15(20-13)11-6-2-3-7-12(11)23/h2-3,6-7,10,23H,1,4-5,8-9H2
InChIKeyVWGOMZPDBSWHRL-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.86
Rot. Bonds2

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

2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol (PubChem CID 629598) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol
PubChem CID629598
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-10-14(22-8-4-1-5-9-22)21-15(20-13)11-6-2-3-7-12(11)23/h2-3,6-7,10,23H,1,4-5,8-9H2
InChIKeyVWGOMZPDBSWHRL-UHFFFAOYSA-N
XLogP3.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol (CID 629598) is 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol is Oc1ccccc1-c1nc(N2CCCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
The InChIKey is VWGOMZPDBSWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)13-10-14(22-8-4-1-5-9-22)21-15(20-13)11-6-2-3-7-12(11)23/h2-3,6-7,10,23H,1,4-5,8-9H2.
What are the key properties of 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol?
2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol has a molecular weight of 323.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenol is sourced from PubChem (CID 629598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).