N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine

C17H18F3N3 — CID 110453003

IUPACN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccc(N2CCCCC2)c(Nc2ccncc2)c1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)13-4-5-16(23-10-2-1-3-11-23)15(12-13)22-14-6-8-21-9-7-14/h4-9,12H,1-3,10-11H2,(H,21,22)
InChIKeyMLTPWTUGPGADSO-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.83
Rot. Bonds3

About N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 110453003) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine
PubChem CID110453003
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine
SMILESFC(F)(F)c1ccc(N2CCCCC2)c(Nc2ccncc2)c1
InChIInChI=1S/C17H18F3N3/c18-17(19,20)13-4-5-16(23-10-2-1-3-11-23)15(12-13)22-14-6-8-21-9-7-14/h4-9,12H,1-3,10-11H2,(H,21,22)
InChIKeyMLTPWTUGPGADSO-UHFFFAOYSA-N
XLogP4.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine 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

N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
5-chloro-4-(4-methylphenyl)sulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2358924
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
N-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-(trifluoromethyl)phenyl]pyridine-4-carbothioamide
CID 87200120
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 45464518
2,5-dibromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2477661

Frequently Asked Questions

What is the IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
The IUPAC name of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine (CID 110453003) is N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine.
What is the SMILES notation for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
The canonical SMILES for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine is FC(F)(F)c1ccc(N2CCCCC2)c(Nc2ccncc2)c1.
What is the InChIKey of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
The InChIKey is MLTPWTUGPGADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c18-17(19,20)13-4-5-16(23-10-2-1-3-11-23)15(12-13)22-14-6-8-21-9-7-14/h4-9,12H,1-3,10-11H2,(H,21,22).
What are the key properties of N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine?
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 321.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 110453003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).