ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol

C14H26F3N3O — CID 172584099

IUPACethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
SMILESCC.CC.Cn1cc(C(F)(F)F)nc1N1CCC(O)CC1
InChIInChI=1S/C10H14F3N3O.2C2H6/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16;2*1-2/h6-7,17H,2-5H2,1H3;2*1-2H3
InChIKeyJOHFOWCIAAGVKP-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.45
Rot. Bonds1

About ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol

ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol (PubChem CID 172584099) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Nameethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
PubChem CID172584099
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Nameethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
SMILESCC.CC.Cn1cc(C(F)(F)F)nc1N1CCC(O)CC1
InChIInChI=1S/C10H14F3N3O.2C2H6/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16;2*1-2/h6-7,17H,2-5H2,1H3;2*1-2H3
InChIKeyJOHFOWCIAAGVKP-UHFFFAOYSA-N
XLogP3.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
The IUPAC name of ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol (CID 172584099) is ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol.
What is the SMILES notation for ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
The canonical SMILES for ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol is CC.CC.Cn1cc(C(F)(F)F)nc1N1CCC(O)CC1.
What is the InChIKey of ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
The InChIKey is JOHFOWCIAAGVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O.2C2H6/c1-15-6-8(10(11,12)13)14-9(15)16-4-2-7(17)3-5-16;2*1-2/h6-7,17H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol?
ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol has a molecular weight of 309.38 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 172584099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).