(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol

C18H27F3N4O2 — CID 56876930

IUPAC(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)c1cc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H27F3N4O2/c1-11(2)13-9-16(23-17(22-13)18(19,20)21)25-8-5-14(15(27)10-25)24-6-3-12(26)4-7-24/h9,11-12,14-15,26-27H,3-8,10H2,1-2H3/t14-,15-/m1/s1
InChIKeyDYDZXABJDLBVTF-HUUCEWRRSA-N
MW388.43 g/mol
LogP2.02
Rot. Bonds3

About (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 56876930) has the molecular formula C18H27F3N4O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
PubChem CID56876930
Molecular FormulaC18H27F3N4O2
Molecular Weight388.43 g/mol
Exact Mass388.21
IUPAC Name(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)c1cc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H27F3N4O2/c1-11(2)13-9-16(23-17(22-13)18(19,20)21)25-8-5-14(15(27)10-25)24-6-3-12(26)4-7-24/h9,11-12,14-15,26-27H,3-8,10H2,1-2H3/t14-,15-/m1/s1
InChIKeyDYDZXABJDLBVTF-HUUCEWRRSA-N
XLogP2.02
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol (CID 56876930) is (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol is CC(C)c1cc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)nc(C(F)(F)F)n1.
What is the InChIKey of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is DYDZXABJDLBVTF-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H27F3N4O2/c1-11(2)13-9-16(23-17(22-13)18(19,20)21)25-8-5-14(15(27)10-25)24-6-3-12(26)4-7-24/h9,11-12,14-15,26-27H,3-8,10H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol?
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 388.43 g/mol, XLogP of 2.02, 3 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-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 56876930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).