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

C16H15F4N3O — CID 99930102

IUPAC(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccnc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C16H15F4N3O/c17-13-4-3-10(8-12(13)16(18,19)20)15-21-6-5-14(22-15)23-7-1-2-11(24)9-23/h3-6,8,11,24H,1-2,7,9H2/t11-/m1/s1
InChIKeyCPAFGWUFDZYKKC-LLVKDONJSA-N
MW341.31 g/mol
LogP3.26
Rot. Bonds2

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

(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 99930102) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
PubChem CID99930102
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccnc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C16H15F4N3O/c17-13-4-3-10(8-12(13)16(18,19)20)15-21-6-5-14(22-15)23-7-1-2-11(24)9-23/h3-6,8,11,24H,1-2,7,9H2/t11-/m1/s1
InChIKeyCPAFGWUFDZYKKC-LLVKDONJSA-N
XLogP3.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol (CID 99930102) is (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol is O[C@@H]1CCCN(c2ccnc(-c3ccc(F)c(C(F)(F)F)c3)n2)C1.
What is the InChIKey of (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is CPAFGWUFDZYKKC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-13-4-3-10(8-12(13)16(18,19)20)15-21-6-5-14(22-15)23-7-1-2-11(24)9-23/h3-6,8,11,24H,1-2,7,9H2/t11-/m1/s1.
What are the key properties of (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol?
(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 341.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 99930102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).