1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid

C11H19F3N2O2 — CID 54892939

IUPAC1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
SMILESCCCN1CCC(NCC(F)(F)F)(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-5-16-6-3-10(4-7-16,9(17)18)15-8-11(12,13)14/h15H,2-8H2,1H3,(H,17,18)
InChIKeyJGOHOSCNNZNBMU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.47
Rot. Bonds5

About 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid

1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid (PubChem CID 54892939) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
PubChem CID54892939
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid
SMILESCCCN1CCC(NCC(F)(F)F)(C(=O)O)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-5-16-6-3-10(4-7-16,9(17)18)15-8-11(12,13)14/h15H,2-8H2,1H3,(H,17,18)
InChIKeyJGOHOSCNNZNBMU-UHFFFAOYSA-N
XLogP1.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Piperidin-1-yl)piperidine-4-carboxylic acid
CID 22185355
4-(Piperazin-1-yl)piperidine-4-carboxylic acid
CID 61242816
4-(Fluoromethylamino)piperidine-4-carboxylic acid
CID 89018161
2-Amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 116991252
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 142490828
(2S)-2-amino-4-(4,4-difluoropiperidin-1-yl)butanoic acid
CID 142490903
4-(3,3-Difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146471630
(2S)-4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide
CID 146471848
(2S)-4-(3-fluoro-3-methylpiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146517505
(2S)-4-(4,4-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid
CID 146563103
(2S)-2-amino-4-(3,3-difluoropiperidin-1-yl)butanoic acid
CID 146563110
(2S)-2-amino-4-[(5S)-3-(difluoromethyl)-5-methylpiperazin-1-yl]-2-methylbutanoic acid
CID 153322732

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
The IUPAC name of 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid (CID 54892939) is 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid is CCCN1CCC(NCC(F)(F)F)(C(=O)O)CC1.
What is the InChIKey of 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
The InChIKey is JGOHOSCNNZNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-5-16-6-3-10(4-7-16,9(17)18)15-8-11(12,13)14/h15H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid?
1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylic acid is sourced from PubChem (CID 54892939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).