(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine

C16H18F3N3 — CID 129240522

IUPAC(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
SMILESC[C@H]1C[C@@H](N)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C16H18F3N3/c1-10-7-11(20)9-22(8-10)14-5-4-13(16(17,18)19)15-12(14)3-2-6-21-15/h2-6,10-11H,7-9,20H2,1H3/t10-,11+/m0/s1
InChIKeyDEPVVGUGIPASIK-WDEREUQCSA-N
MW309.33 g/mol
LogP3.43
Rot. Bonds1

About (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine

(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine (PubChem CID 129240522) has the molecular formula C16H18F3N3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
PubChem CID129240522
Molecular FormulaC16H18F3N3
Molecular Weight309.33 g/mol
Exact Mass309.15
IUPAC Name(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
SMILESC[C@H]1C[C@@H](N)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C16H18F3N3/c1-10-7-11(20)9-22(8-10)14-5-4-13(16(17,18)19)15-12(14)3-2-6-21-15/h2-6,10-11H,7-9,20H2,1H3/t10-,11+/m0/s1
InChIKeyDEPVVGUGIPASIK-WDEREUQCSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine?
The IUPAC name of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine (CID 129240522) is (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine.
What is the SMILES notation for (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine?
The canonical SMILES for (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine is C[C@H]1C[C@@H](N)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.
What is the InChIKey of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine?
The InChIKey is DEPVVGUGIPASIK-WDEREUQCSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-10-7-11(20)9-22(8-10)14-5-4-13(16(17,18)19)15-12(14)3-2-6-21-15/h2-6,10-11H,7-9,20H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine?
(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine has a molecular weight of 309.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine is sourced from PubChem (CID 129240522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).