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

C17H25F3N4O2 — CID 56864402

IUPAC(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol
SMILESOC1CCN([C@@H]2CCN(c3nccc(CCC(F)(F)F)n3)C[C@H]2O)CC1
InChIInChI=1S/C17H25F3N4O2/c18-17(19,20)6-1-12-2-7-21-16(22-12)24-10-5-14(15(26)11-24)23-8-3-13(25)4-9-23/h2,7,13-15,25-26H,1,3-6,8-11H2/t14-,15-/m1/s1
InChIKeyFZAGNQIJCCEXJD-HUUCEWRRSA-N
MW374.41 g/mol
LogP1.37
Rot. Bonds4

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

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol (PubChem CID 56864402) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol
PubChem CID56864402
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol
SMILESOC1CCN([C@@H]2CCN(c3nccc(CCC(F)(F)F)n3)C[C@H]2O)CC1
InChIInChI=1S/C17H25F3N4O2/c18-17(19,20)6-1-12-2-7-21-16(22-12)24-10-5-14(15(26)11-24)23-8-3-13(25)4-9-23/h2,7,13-15,25-26H,1,3-6,8-11H2/t14-,15-/m1/s1
InChIKeyFZAGNQIJCCEXJD-HUUCEWRRSA-N
XLogP1.37
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol with MolForge

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Related Compounds

1-{4-[4-(4,6-Diethyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11035272
2-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]cyclohexan-1-ol
CID 110090207
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
(3R*,4R*)-1-[6-isopropyl-2-(trifluoromethyl)-4-pyrimidinyl]-4-(4-morpholinyl)-3-piperidinol
CID 56863061
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479
(3S*,4S*)-4-isopropoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 56868405
(3-Endo)-8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56869053
(3S*,4R*)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
CID 56869576
{3-Ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperidin-3-YL}methanol
CID 56871761
N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56873098

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol (CID 56864402) is (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol is OC1CCN([C@@H]2CCN(c3nccc(CCC(F)(F)F)n3)C[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is FZAGNQIJCCEXJD-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c18-17(19,20)6-1-12-2-7-21-16(22-12)24-10-5-14(15(26)11-24)23-8-3-13(25)4-9-23/h2,7,13-15,25-26H,1,3-6,8-11H2/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol?
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 374.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 56864402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).