1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol

C22H20F3N3O2 — CID 11553437

IUPAC1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)30-18-8-6-16(7-9-18)21-26-19(15-4-2-1-3-5-15)14-20(27-21)28-12-10-17(29)11-13-28/h1-9,14,17,29H,10-13H2
InChIKeyCEQSEGNQZIOBBN-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.67
Rot. Bonds4

About 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol

1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 11553437) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID11553437
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)30-18-8-6-16(7-9-18)21-26-19(15-4-2-1-3-5-15)14-20(27-21)28-12-10-17(29)11-13-28/h1-9,14,17,29H,10-13H2
InChIKeyCEQSEGNQZIOBBN-UHFFFAOYSA-N
XLogP4.67
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine
CID 4086238
1-[6-chloro-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]piperidin-4-ol;(4-fluorophenyl)boronic acid;1-[6-(4-fluorophenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]piperidin-4-ol
CID 161133768
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
1-(2,6-diphenylpyrimidin-4-yl)piperidin-4-one
CID 56767288
sulfanyl 4-[[6-(4-hydroxypiperidin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 89021802
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
(3R,4R)-4-(hydroxymethyl)-1-[2-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 156866330
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
(3R)-1-[2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99928309
CID 87794699
CID 87794699
1-[4-[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 11517478
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120

Frequently Asked Questions

What is the IUPAC name of 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol (CID 11553437) is 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(OC(F)(F)F)cc3)n2)CC1.
What is the InChIKey of 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is CEQSEGNQZIOBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)30-18-8-6-16(7-9-18)21-26-19(15-4-2-1-3-5-15)14-20(27-21)28-12-10-17(29)11-13-28/h1-9,14,17,29H,10-13H2.
What are the key properties of 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 415.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-phenyl-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 11553437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).