[4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate

C11H19F3N2O2 — CID 69796850

IUPAC[4-[2-(dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCN(C)CCC1CCN(CC1)OC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-15(2)6-3-9-4-7-16(8-5-9)18-10(17)11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyBDLQPKTYMNHZFM-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.60
Rot. Bonds5

About [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate

[4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 69796850) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID69796850
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name[4-[2-(dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCN(C)CCC1CCN(CC1)OC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-15(2)6-3-9-4-7-16(8-5-9)18-10(17)11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyBDLQPKTYMNHZFM-UHFFFAOYSA-N
XLogP2.60
TPSA32.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Ethylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468111
1-Hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 22061292
(1-Methylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468105
(1-Propylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468112
(1-Propan-2-ylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468113
(4-Cyanopiperidin-1-yl) 2,2,2-trifluoroacetate
CID 66657907
(4-Pentylpiperidin-1-yl) 2,2,2-trifluoroacetate;hydrochloride
CID 67295837
(4-Pentylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 67295838
[4-(Difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68758254
[4-(Cyanomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69793432
[4-[(Dimethylamino)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69796799
[4-(Trifluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 85842500

Frequently Asked Questions

What is the IUPAC name of [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 69796850) is [4-[2-(dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate is CN(C)CCC1CCN(CC1)OC(=O)C(F)(F)F.
What is the InChIKey of [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is BDLQPKTYMNHZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-15(2)6-3-9-4-7-16(8-5-9)18-10(17)11(12,13)14/h9H,3-8H2,1-2H3.
What are the key properties of [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 268.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 69796850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).