4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol

C18H21F3N4O — CID 56751512

IUPAC4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3nccc(CCC(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C18H21F3N4O/c1-13-2-3-15(23-12-13)17(26)7-10-25(11-8-17)16-22-9-5-14(24-16)4-6-18(19,20)21/h2-3,5,9,12,26H,4,6-8,10-11H2,1H3
InChIKeyFTYSCAXISDQJEY-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.16
Rot. Bonds4

About 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol

4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 56751512) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID56751512
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3nccc(CCC(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C18H21F3N4O/c1-13-2-3-15(23-12-13)17(26)7-10-25(11-8-17)16-22-9-5-14(24-16)4-6-18(19,20)21/h2-3,5,9,12,26H,4,6-8,10-11H2,1H3
InChIKeyFTYSCAXISDQJEY-UHFFFAOYSA-N
XLogP3.16
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (CID 56751512) is 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is Cc1ccc(C2(O)CCN(c3nccc(CCC(F)(F)F)n3)CC2)nc1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is FTYSCAXISDQJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-13-2-3-15(23-12-13)17(26)7-10-25(11-8-17)16-22-9-5-14(24-16)4-6-18(19,20)21/h2-3,5,9,12,26H,4,6-8,10-11H2,1H3.
What are the key properties of 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 366.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 56751512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).