(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone

C20H23FN2O — CID 24808495

IUPAC(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F
InChIInChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
InChIKeySIDDLTBLAQYZIZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.46
Rot. Bonds2

About (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone

(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone (PubChem CID 24808495) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone
PubChem CID24808495
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F
InChIInChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
InChIKeySIDDLTBLAQYZIZ-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone (CID 24808495) is (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone is Cc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone?
The InChIKey is SIDDLTBLAQYZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone?
(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone has a molecular weight of 326.42 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 24808495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).