2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide

C9H15F3N2O2 — CID 108866089

IUPAC2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC(F)(F)F)N1CCCCC1CCO
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)13-8(16)14-5-2-1-3-7(14)4-6-15/h7,15H,1-6H2,(H,13,16)
InChIKeyDFRVCGIYOHNGPV-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.45
Rot. Bonds2

About 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide

2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 108866089) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID108866089
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC(F)(F)F)N1CCCCC1CCO
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)13-8(16)14-5-2-1-3-7(14)4-6-15/h7,15H,1-6H2,(H,13,16)
InChIKeyDFRVCGIYOHNGPV-UHFFFAOYSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide (CID 108866089) is 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide is O=C(NC(F)(F)F)N1CCCCC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is DFRVCGIYOHNGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)13-8(16)14-5-2-1-3-7(14)4-6-15/h7,15H,1-6H2,(H,13,16).
What are the key properties of 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide?
2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 108866089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).