1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone

C13H21F3N2O2 — CID 122135305

IUPAC1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCCC1C(O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)10-5-4-8-18(10)9-11(19)17-6-2-1-3-7-17/h10,12,20H,1-9H2
InChIKeyNPUFNVJWFSXLCN-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.39
Rot. Bonds3

About 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone

1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 122135305) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID122135305
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCCC1C(O)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)10-5-4-8-18(10)9-11(19)17-6-2-1-3-7-17/h10,12,20H,1-9H2
InChIKeyNPUFNVJWFSXLCN-UHFFFAOYSA-N
XLogP1.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 122135305) is 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone is O=C(CN1CCCC1C(O)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is NPUFNVJWFSXLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(20)10-5-4-8-18(10)9-11(19)17-6-2-1-3-7-17/h10,12,20H,1-9H2.
What are the key properties of 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 294.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 122135305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).