cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone

C11H16F3NO2 — CID 67404025

IUPACcyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)9(16)7-3-5-15(6-4-7)10(17)8-1-2-8/h7-9,16H,1-6H2
InChIKeyJKGBGLIBVCXXRX-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.56
Rot. Bonds2

About cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone

cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 67404025) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID67404025
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Namecyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)9(16)7-3-5-15(6-4-7)10(17)8-1-2-8/h7-9,16H,1-6H2
InChIKeyJKGBGLIBVCXXRX-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone (CID 67404025) is cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is JKGBGLIBVCXXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)9(16)7-3-5-15(6-4-7)10(17)8-1-2-8/h7-9,16H,1-6H2.
What are the key properties of cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 251.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 67404025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).