1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol

C16H26F3N3O2 — CID 111462712

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C16H26F3N3O2/c1-15(2,3)24-10-12(23)9-22-6-4-11(5-7-22)14-20-8-13(21-14)16(17,18)19/h8,11-12,23H,4-7,9-10H2,1-3H3,(H,20,21)
InChIKeyCMIVMGHLDFCPLG-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.78
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol (PubChem CID 111462712) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol
PubChem CID111462712
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol
SMILESCC(C)(C)OCC(O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C16H26F3N3O2/c1-15(2,3)24-10-12(23)9-22-6-4-11(5-7-22)14-20-8-13(21-14)16(17,18)19/h8,11-12,23H,4-7,9-10H2,1-3H3,(H,20,21)
InChIKeyCMIVMGHLDFCPLG-UHFFFAOYSA-N
XLogP2.78
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol (CID 111462712) is 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol is CC(C)(C)OCC(O)CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol?
The InChIKey is CMIVMGHLDFCPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-15(2,3)24-10-12(23)9-22-6-4-11(5-7-22)14-20-8-13(21-14)16(17,18)19/h8,11-12,23H,4-7,9-10H2,1-3H3,(H,20,21).
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 111462712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).