(1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate

C9H15F3N2O2 — CID 175189388

IUPAC(1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate
SMILESCC(NOC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2O2/c1-6(7-2-4-13-5-3-7)14-16-8(15)9(10,11)12/h6-7,13-14H,2-5H2,1H3
InChIKeyLZPOJSTXEZVVHS-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.98
Rot. Bonds3

About (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate

(1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate (PubChem CID 175189388) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate
PubChem CID175189388
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate
SMILESCC(NOC(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C9H15F3N2O2/c1-6(7-2-4-13-5-3-7)14-16-8(15)9(10,11)12/h6-7,13-14H,2-5H2,1H3
InChIKeyLZPOJSTXEZVVHS-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-piperidin-4-ylethylamino) 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-Propan-2-ylpiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
CID 23018851
[4-Methyl-4-(methylamino)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 57481580
Piperidin-4-ylmethanamine;2,2,2-trifluoroacetic acid
CID 68619391
[4-(Acetamidomethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68875026
[4-(2-Acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68877986
[4-[[(2,2,2-Trifluoroacetyl)amino]methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 87537503
4-Methyl-1-oxidopiperidin-1-ium;2,2,2-trifluoroacetic acid
CID 87894399
(Piperidin-4-ylamino) 2,2,2-trifluoroacetate
CID 91529738
[(5-Methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate
CID 156695218
[(4-Fluoropiperidin-4-yl)methylamino] 2,2,2-trifluoroacetate
CID 166758807
4-Methylpiperidine;2,2,2-trifluoroacetic acid
CID 172829047
[4-[(2,2,2-Trifluoroethylamino)methyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174695163

Frequently Asked Questions

What is the IUPAC name of (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate?
The IUPAC name of (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate (CID 175189388) is (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate.
What is the SMILES notation for (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate?
The canonical SMILES for (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate is CC(NOC(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate?
The InChIKey is LZPOJSTXEZVVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-6(7-2-4-13-5-3-7)14-16-8(15)9(10,11)12/h6-7,13-14H,2-5H2,1H3.
What are the key properties of (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate?
(1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate has a molecular weight of 240.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-piperidin-4-ylethylamino) 2,2,2-trifluoroacetate is sourced from PubChem (CID 175189388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).