2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride

C12H20Cl2F3N3O — CID 67112089

IUPAC2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCn1cc(CC(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C12H18F3N3O.2ClH/c13-12(14,15)7-10-8-18(5-6-19)11(17-10)9-1-3-16-4-2-9;;/h8-9,16,19H,1-7H2;2*1H
InChIKeyWEQMCZCWPKVXRC-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.29
Rot. Bonds4

About 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride

2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride (PubChem CID 67112089) has the molecular formula C12H20Cl2F3N3O and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride
PubChem CID67112089
Molecular FormulaC12H20Cl2F3N3O
Molecular Weight350.21 g/mol
Exact Mass349.09
IUPAC Name2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCn1cc(CC(F)(F)F)nc1C1CCNCC1
InChIInChI=1S/C12H18F3N3O.2ClH/c13-12(14,15)7-10-8-18(5-6-19)11(17-10)9-1-3-16-4-2-9;;/h8-9,16,19H,1-7H2;2*1H
InChIKeyWEQMCZCWPKVXRC-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride (CID 67112089) is 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride is Cl.Cl.OCCn1cc(CC(F)(F)F)nc1C1CCNCC1.
What is the InChIKey of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride?
The InChIKey is WEQMCZCWPKVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O.2ClH/c13-12(14,15)7-10-8-18(5-6-19)11(17-10)9-1-3-16-4-2-9;;/h8-9,16,19H,1-7H2;2*1H.
What are the key properties of 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride?
2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride has a molecular weight of 350.21 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-piperidin-4-yl-4-(2,2,2-trifluoroethyl)imidazol-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 67112089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).