4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol

C17H19F3N4O — CID 56862416

IUPAC4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1(c2cccnc2)CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)5-3-14-4-9-22-15(23-14)24-10-6-16(25,7-11-24)13-2-1-8-21-12-13/h1-2,4,8-9,12,25H,3,5-7,10-11H2
InChIKeyQGZDRPSPFCRCNZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.85
Rot. Bonds4

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

4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 56862416) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID56862416
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1(c2cccnc2)CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)5-3-14-4-9-22-15(23-14)24-10-6-16(25,7-11-24)13-2-1-8-21-12-13/h1-2,4,8-9,12,25H,3,5-7,10-11H2
InChIKeyQGZDRPSPFCRCNZ-UHFFFAOYSA-N
XLogP2.85
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (CID 56862416) is 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is OC1(c2cccnc2)CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is QGZDRPSPFCRCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)5-3-14-4-9-22-15(23-14)24-10-6-16(25,7-11-24)13-2-1-8-21-12-13/h1-2,4,8-9,12,25H,3,5-7,10-11H2.
What are the key properties of 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 352.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 56862416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).