2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid

C11H19F3N2O2 — CID 83992106

IUPAC2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
SMILESCCN1CC(CC(=O)O)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-2-16-5-8(4-10(17)18)3-9(6-16)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18)
InChIKeyAUZLMXYJKHFZLE-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.32
Rot. Bonds5

About 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid

2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid (PubChem CID 83992106) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
PubChem CID83992106
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
SMILESCCN1CC(CC(=O)O)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-2-16-5-8(4-10(17)18)3-9(6-16)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18)
InChIKeyAUZLMXYJKHFZLE-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(Carboxymethyl)-2-methylpiperidin-4-yl]acetic acid
CID 242459
2-[(2S,3R,4R)-3-(carboxymethyl)-2-methylpiperidin-4-yl]acetic acid
CID 3246206
2-[2-(Difluoromethyl)piperidin-4-yl]acetic acid
CID 175375755
Acetic acid;6-(trifluoromethyl)piperidine-3-carboxylic acid
CID 49761068
1-(Ethylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 79645652
1-(Ethylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 79645656
1-(Methylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79648112
1-(Methylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 79650943
1-Amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651059
1-(Methylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 79651728
2-[2-(2,2,2-Trifluoroethyl)piperidin-4-yl]acetic acid
CID 82391676
5-[[3-(Trifluoromethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 82847071

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid (CID 83992106) is 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid is CCN1CC(CC(=O)O)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
The InChIKey is AUZLMXYJKHFZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-16-5-8(4-10(17)18)3-9(6-16)15-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid?
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid has a molecular weight of 268.28 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 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83992106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).