3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C9H15F3N2O2 — CID 115871144

IUPAC3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-8(16)3-2-4-14(6-8)7(15)13-5-9(10,11)12/h16H,2-6H2,1H3,(H,13,15)
InChIKeyCKIHXGAHYMZWSH-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.11
Rot. Bonds1

About 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 115871144) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID115871144
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-8(16)3-2-4-14(6-8)7(15)13-5-9(10,11)12/h16H,2-6H2,1H3,(H,13,15)
InChIKeyCKIHXGAHYMZWSH-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 115871144) is 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC1(O)CCCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is CKIHXGAHYMZWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(16)3-2-4-14(6-8)7(15)13-5-9(10,11)12/h16H,2-6H2,1H3,(H,13,15).
What are the key properties of 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115871144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).