(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone

C19H19F3N2O2 — CID 58210744

IUPAC(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3OC(F)(F)F)n2)CC1
InChIInChI=1S/C19H19F3N2O2/c1-13-9-11-24(12-10-13)18(25)16-7-4-6-15(23-16)14-5-2-3-8-17(14)26-19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyNAZYBWNASQWWIB-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.52
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone

(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone (PubChem CID 58210744) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone
PubChem CID58210744
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3OC(F)(F)F)n2)CC1
InChIInChI=1S/C19H19F3N2O2/c1-13-9-11-24(12-10-13)18(25)16-7-4-6-15(23-16)14-5-2-3-8-17(14)26-19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyNAZYBWNASQWWIB-UHFFFAOYSA-N
XLogP4.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone (CID 58210744) is (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone is CC1CCN(C(=O)c2cccc(-c3ccccc3OC(F)(F)F)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone?
The InChIKey is NAZYBWNASQWWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-13-9-11-24(12-10-13)18(25)16-7-4-6-15(23-16)14-5-2-3-8-17(14)26-19(20,21)22/h2-8,13H,9-12H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone has a molecular weight of 364.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methanone is sourced from PubChem (CID 58210744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).