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

C19H19F3N2O — CID 58211071

IUPAC(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)n2)CC1
InChIInChI=1S/C19H19F3N2O/c1-13-9-11-24(12-10-13)18(25)17-8-4-7-16(23-17)14-5-2-3-6-15(14)19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyBBYVSRORTNCLKA-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.64
Rot. Bonds2

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

(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone (PubChem CID 58211071) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone
PubChem CID58211071
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)n2)CC1
InChIInChI=1S/C19H19F3N2O/c1-13-9-11-24(12-10-13)18(25)17-8-4-7-16(23-17)14-5-2-3-6-15(14)19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyBBYVSRORTNCLKA-UHFFFAOYSA-N
XLogP4.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211121
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 58211023
[6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 143311427
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58211293
[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095538

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone (CID 58211071) is (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone is CC1CCN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone?
The InChIKey is BBYVSRORTNCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-9-11-24(12-10-13)18(25)17-8-4-7-16(23-17)14-5-2-3-6-15(14)19(20,21)22/h2-8,13H,9-12H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone has a molecular weight of 348.37 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone is sourced from PubChem (CID 58211071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).