1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

C11H14F3N3O — CID 126820236

IUPAC1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncc[nH]1)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-8-2-1-5-17(7-8)10(18)9-15-3-4-16-9/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyUKRRYOPKXUQRIH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds2

About 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (PubChem CID 126820236) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
PubChem CID126820236
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncc[nH]1)N1CCCC(CC(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)6-8-2-1-5-17(7-8)10(18)9-15-3-4-16-9/h3-4,8H,1-2,5-7H2,(H,15,16)
InChIKeyUKRRYOPKXUQRIH-UHFFFAOYSA-N
XLogP2.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (CID 126820236) is 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is O=C(c1ncc[nH]1)N1CCCC(CC(F)(F)F)C1.
What is the InChIKey of 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The InChIKey is UKRRYOPKXUQRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)6-8-2-1-5-17(7-8)10(18)9-15-3-4-16-9/h3-4,8H,1-2,5-7H2,(H,15,16).
What are the key properties of 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone has a molecular weight of 261.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126820236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).