N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride

C11H17Cl3F3N3 — CID 86277771

IUPACN-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.FC(F)(F)c1cccc(NC2CCNCC2)n1
InChIInChI=1S/C11H14F3N3.3ClH/c12-11(13,14)9-2-1-3-10(17-9)16-8-4-6-15-7-5-8;;;/h1-3,8,15H,4-7H2,(H,16,17);3*1H
InChIKeyWAJPCAVDZWGNCG-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.53
Rot. Bonds2

About N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride

N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride (PubChem CID 86277771) has the molecular formula C11H17Cl3F3N3 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride
PubChem CID86277771
Molecular FormulaC11H17Cl3F3N3
Molecular Weight354.63 g/mol
Exact Mass353.04
IUPAC NameN-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.FC(F)(F)c1cccc(NC2CCNCC2)n1
InChIInChI=1S/C11H14F3N3.3ClH/c12-11(13,14)9-2-1-3-10(17-9)16-8-4-6-15-7-5-8;;;/h1-3,8,15H,4-7H2,(H,16,17);3*1H
InChIKeyWAJPCAVDZWGNCG-UHFFFAOYSA-N
XLogP3.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 94417648
N-(4-propylcyclohexyl)-6-(trifluoromethyl)pyridin-2-amine
CID 63541353
N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 78990195
2-[4-[[6-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376350
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661
N-(1-benzylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 133306533
N-[6-(trifluoromethyl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281569
methyl 6-(piperidin-4-ylamino)pyridine-2-carboxylate
CID 83841955
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537288
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
CID 78996740
2-methyl-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 67373203

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
The IUPAC name of N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride (CID 86277771) is N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride.
What is the SMILES notation for N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
The canonical SMILES for N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride is Cl.Cl.Cl.FC(F)(F)c1cccc(NC2CCNCC2)n1.
What is the InChIKey of N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
The InChIKey is WAJPCAVDZWGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3.3ClH/c12-11(13,14)9-2-1-3-10(17-9)16-8-4-6-15-7-5-8;;;/h1-3,8,15H,4-7H2,(H,16,17);3*1H.
What are the key properties of N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride has a molecular weight of 354.63 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-6-(trifluoromethyl)pyridin-2-amine;trihydrochloride is sourced from PubChem (CID 86277771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).