2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium

C17H17F6N3O2 — CID 153398900

IUPAC2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium
SMILESO=C([O-])C(F)(F)F.[NH3+]C1CCCN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C15H16F3N3.C2HF3O2/c16-15(17,18)12-5-6-13(11-4-1-7-20-14(11)12)21-8-2-3-10(19)9-21;3-2(4,5)1(6)7/h1,4-7,10H,2-3,8-9,19H2;(H,6,7)
InChIKeyHLZGFMUINVFMGP-UHFFFAOYSA-N
MW409.33 g/mol
LogP1.76
Rot. Bonds1

About 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium

2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium (PubChem CID 153398900) has the molecular formula C17H17F6N3O2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium.

Molecular Properties

Compound Name2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium
PubChem CID153398900
Molecular FormulaC17H17F6N3O2
Molecular Weight409.33 g/mol
Exact Mass409.12
IUPAC Name2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium
SMILESO=C([O-])C(F)(F)F.[NH3+]C1CCCN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C15H16F3N3.C2HF3O2/c16-15(17,18)12-5-6-13(11-4-1-7-20-14(11)12)21-8-2-3-10(19)9-21;3-2(4,5)1(6)7/h1,4-7,10H,2-3,8-9,19H2;(H,6,7)
InChIKeyHLZGFMUINVFMGP-UHFFFAOYSA-N
XLogP1.76
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium 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-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 153398901
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide
CID 129266606
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 174114905
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate
CID 156648946
(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
N-[(3R,5R)-5-cyclopropyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]-2-morpholin-4-ylacetamide
CID 129240636
2-(1-methylpyrrolidin-3-yl)-N-[(4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 142520349
4-[ethyl(methyl)amino]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]butan-1-one
CID 148529034
2-(1-hydroxycyclopropyl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241298
2-(1-aminocyclohexyl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776942

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium?
The IUPAC name of 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium (CID 153398900) is 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium.
What is the SMILES notation for 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium?
The canonical SMILES for 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium is O=C([O-])C(F)(F)F.[NH3+]C1CCCN(c2ccc(C(F)(F)F)c3ncccc23)C1.
What is the InChIKey of 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium?
The InChIKey is HLZGFMUINVFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3.C2HF3O2/c16-15(17,18)12-5-6-13(11-4-1-7-20-14(11)12)21-8-2-3-10(19)9-21;3-2(4,5)1(6)7/h1,4-7,10H,2-3,8-9,19H2;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium?
2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium has a molecular weight of 409.33 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetate;[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]azanium is sourced from PubChem (CID 153398900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).