N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride

C11H17Cl3F3N3 — CID 86276661

IUPACN-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.FC(F)(F)c1ccc(NC2CCNCC2)nc1
InChIInChI=1S/C11H14F3N3.3ClH/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9;;;/h1-2,7,9,15H,3-6H2,(H,16,17);3*1H
InChIKeyPYTDLNXSHGOJPF-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.53
Rot. Bonds2

About N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride

N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride (PubChem CID 86276661) has the molecular formula C11H17Cl3F3N3 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
PubChem CID86276661
Molecular FormulaC11H17Cl3F3N3
Molecular Weight354.63 g/mol
Exact Mass353.04
IUPAC NameN-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
SMILESCl.Cl.Cl.FC(F)(F)c1ccc(NC2CCNCC2)nc1
InChIInChI=1S/C11H14F3N3.3ClH/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9;;;/h1-2,7,9,15H,3-6H2,(H,16,17);3*1H
InChIKeyPYTDLNXSHGOJPF-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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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
The IUPAC name of N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride (CID 86276661) is N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride.
What is the SMILES notation for N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
The canonical SMILES for N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride is Cl.Cl.Cl.FC(F)(F)c1ccc(NC2CCNCC2)nc1.
What is the InChIKey of N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
The InChIKey is PYTDLNXSHGOJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3.3ClH/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9;;;/h1-2,7,9,15H,3-6H2,(H,16,17);3*1H.
What are the key properties of N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride?
N-piperidin-4-yl-5-(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-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride is sourced from PubChem (CID 86276661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).