4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine

C15H16F3N3 — CID 83066187

IUPAC4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine
SMILESNc1cccc2c(N3CCC(C(F)(F)F)CC3)ccnc12
InChIInChI=1S/C15H16F3N3/c16-15(17,18)10-5-8-21(9-6-10)13-4-7-20-14-11(13)2-1-3-12(14)19/h1-4,7,10H,5-6,8-9,19H2
InChIKeyZOIWYAAYLCYVLX-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.60
Rot. Bonds1

About 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine

4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine (PubChem CID 83066187) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine
PubChem CID83066187
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine
SMILESNc1cccc2c(N3CCC(C(F)(F)F)CC3)ccnc12
InChIInChI=1S/C15H16F3N3/c16-15(17,18)10-5-8-21(9-6-10)13-4-7-20-14-11(13)2-1-3-12(14)19/h1-4,7,10H,5-6,8-9,19H2
InChIKeyZOIWYAAYLCYVLX-UHFFFAOYSA-N
XLogP3.60
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-thiomorpholin-4-ylquinolin-8-amine
CID 83058354
2-methoxy-3-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166176381
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinolin-8-amine
CID 104957764
5-[4-(dimethylamino)piperidin-1-yl]quinolin-8-amine
CID 43585725
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
4-(2-methylazepan-1-yl)quinolin-8-amine
CID 83060900
1-(8-fluoroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563709
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinolin-8-amine
CID 63150967
4-[3-(trifluoromethyl)azetidin-1-yl]quinoline
CID 163356425
5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
CID 43581386
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 83065677

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine?
The IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine (CID 83066187) is 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine is Nc1cccc2c(N3CCC(C(F)(F)F)CC3)ccnc12.
What is the InChIKey of 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine?
The InChIKey is ZOIWYAAYLCYVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)10-5-8-21(9-6-10)13-4-7-20-14-11(13)2-1-3-12(14)19/h1-4,7,10H,5-6,8-9,19H2.
What are the key properties of 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine?
4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine has a molecular weight of 295.31 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)piperidin-1-yl]quinolin-8-amine is sourced from PubChem (CID 83066187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).