4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol

C16H24F3N3O2 — CID 129491413

IUPAC4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol
SMILESCn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CC2(O)CCOCC2)C1
InChIInChI=1S/C16H24F3N3O2/c1-21-10-13(16(17,18)19)20-14(21)12-3-2-6-22(9-12)11-15(23)4-7-24-8-5-15/h10,12,23H,2-9,11H2,1H3/t12-/m1/s1
InChIKeyBEZOLZXXBJGIRV-GFCCVEGCSA-N
MW347.38 g/mol
LogP2.16
Rot. Bonds3

About 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol

4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 129491413) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol
PubChem CID129491413
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol
SMILESCn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CC2(O)CCOCC2)C1
InChIInChI=1S/C16H24F3N3O2/c1-21-10-13(16(17,18)19)20-14(21)12-3-2-6-22(9-12)11-15(23)4-7-24-8-5-15/h10,12,23H,2-9,11H2,1H3/t12-/m1/s1
InChIKeyBEZOLZXXBJGIRV-GFCCVEGCSA-N
XLogP2.16
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol (CID 129491413) is 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol is Cn1cc(C(F)(F)F)nc1[C@@H]1CCCN(CC2(O)CCOCC2)C1.
What is the InChIKey of 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is BEZOLZXXBJGIRV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-21-10-13(16(17,18)19)20-14(21)12-3-2-6-22(9-12)11-15(23)4-7-24-8-5-15/h10,12,23H,2-9,11H2,1H3/t12-/m1/s1.
What are the key properties of 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol?
4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 347.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 129491413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).