2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid

C10H16F3NO2 — CID 162509660

IUPAC2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CC(C)N1CC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-6-3-8(9(15)16)4-7(2)14(6)5-10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyADCPZLAQJVKRMB-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.12
Rot. Bonds2

About 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid

2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid (PubChem CID 162509660) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
PubChem CID162509660
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CC(C)N1CC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-6-3-8(9(15)16)4-7(2)14(6)5-10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyADCPZLAQJVKRMB-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The IUPAC name of 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid (CID 162509660) is 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CC(C)N1CC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
The InChIKey is ADCPZLAQJVKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-6-3-8(9(15)16)4-7(2)14(6)5-10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid?
2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid has a molecular weight of 239.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 162509660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).