1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

C12H19F3N2O2 — CID 83992530

IUPAC1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(CC2CC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)7-16-10-3-9(11(18)19)5-17(6-10)4-8-1-2-8/h8-10,16H,1-7H2,(H,18,19)
InChIKeyOZLCXEQAOOWONY-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.32
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992530) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992530
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(CC2CC2)C1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)7-16-10-3-9(11(18)19)5-17(6-10)4-8-1-2-8/h8-10,16H,1-7H2,(H,18,19)
InChIKeyOZLCXEQAOOWONY-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992530) is 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC(F)(F)F)CN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is OZLCXEQAOOWONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)7-16-10-3-9(11(18)19)5-17(6-10)4-8-1-2-8/h8-10,16H,1-7H2,(H,18,19).
What are the key properties of 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).