1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid

C9H13F3N2O3 — CID 43135809

IUPAC1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14-3-1-6(2-4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyBDKKELKMSSTUEO-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.05
Rot. Bonds2

About 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid

1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 43135809) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID43135809
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14-3-1-6(2-4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyBDKKELKMSSTUEO-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid (CID 43135809) is 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is BDKKELKMSSTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14-3-1-6(2-4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16).
What are the key properties of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43135809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).