3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine

C18H20F3N3 — CID 28818263

IUPAC3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)cc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-11-16(17(22)23-12-15)24-8-6-14(7-9-24)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,22,23)
InChIKeyCZMIUYFTMJZBNF-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.14
Rot. Bonds3

About 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine

3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 28818263) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID28818263
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)cc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)15-11-16(17(22)23-12-15)24-8-6-14(7-9-24)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,22,23)
InChIKeyCZMIUYFTMJZBNF-UHFFFAOYSA-N
XLogP4.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 28818263) is 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine is Nc1ncc(C(F)(F)F)cc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CZMIUYFTMJZBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c19-18(20,21)15-11-16(17(22)23-12-15)24-8-6-14(7-9-24)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,22,23).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine?
3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 28818263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).