1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C11H19F3N2O3 — CID 82696310

IUPAC1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESC1CN(CCC1OCCO)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-15-7-10(18)16-3-1-9(2-4-16)19-6-5-17/h9,15,17H,1-8H2
InChIKeyGCLVALHHDHTVMT-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.20
Rot. Bonds6

About 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 82696310) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID82696310
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESC1CN(CCC1OCCO)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c12-11(13,14)8-15-7-10(18)16-3-1-9(2-4-16)19-6-5-17/h9,15,17H,1-8H2
InChIKeyGCLVALHHDHTVMT-UHFFFAOYSA-N
XLogP0.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity279

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60641719
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63904921
1-(4-Ethoxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924475
1-(4-Methoxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78932025
1-[4-(2-Ethoxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78957840
1-(4-Hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958610
2-[1-[2-(2,2,2-Trifluoroethylamino)acetyl]piperidin-4-yl]oxyacetic acid
CID 79260927
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79735389
2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 79833050
1-[2-(Hydroxymethyl)-5-methylmorpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 81202760
1-[2-(Hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 81203816
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 81884508

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 82696310) is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is C1CN(CCC1OCCO)C(=O)CNCC(F)(F)F.
What is the InChIKey of 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is GCLVALHHDHTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c12-11(13,14)8-15-7-10(18)16-3-1-9(2-4-16)19-6-5-17/h9,15,17H,1-8H2.
What are the key properties of 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 284.28 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-Hydroxyethoxy)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 82696310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).