(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol

C16H16F3N3O2 — CID 99928309

IUPAC(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccnc(-c3cccc(OC(F)(F)F)c3)n2)C1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-5-1-3-11(9-13)15-20-7-6-14(21-15)22-8-2-4-12(23)10-22/h1,3,5-7,9,12,23H,2,4,8,10H2/t12-/m1/s1
InChIKeyOLJKYQILMNYZAS-GFCCVEGCSA-N
MW339.32 g/mol
LogP3.00
Rot. Bonds3

About (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol

(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 99928309) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
PubChem CID99928309
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccnc(-c3cccc(OC(F)(F)F)c3)n2)C1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-5-1-3-11(9-13)15-20-7-6-14(21-15)22-8-2-4-12(23)10-22/h1,3,5-7,9,12,23H,2,4,8,10H2/t12-/m1/s1
InChIKeyOLJKYQILMNYZAS-GFCCVEGCSA-N
XLogP3.00
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol (CID 99928309) is (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol is O[C@@H]1CCCN(c2ccnc(-c3cccc(OC(F)(F)F)c3)n2)C1.
What is the InChIKey of (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is OLJKYQILMNYZAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)24-13-5-1-3-11(9-13)15-20-7-6-14(21-15)22-8-2-4-12(23)10-22/h1,3,5-7,9,12,23H,2,4,8,10H2/t12-/m1/s1.
What are the key properties of (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol?
(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 339.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 99928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).