[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone

C15H20FNO2 — CID 103715025

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-10-5-4-6-11(2)17(10)15(18)13-8-7-12(19-3)9-14(13)16/h7-11H,4-6H2,1-3H3/t10-,11+
InChIKeyFCDNSCKNTJBHEI-PHIMTYICSA-N
MW265.33 g/mol
LogP3.24
Rot. Bonds2

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103715025) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103715025
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-10-5-4-6-11(2)17(10)15(18)13-8-7-12(19-3)9-14(13)16/h7-11H,4-6H2,1-3H3/t10-,11+
InChIKeyFCDNSCKNTJBHEI-PHIMTYICSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884019
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103687923
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816431
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685
tert-butyl (2R,6R)-4-(2-fluoro-4-methoxybenzoyl)-2,6-dimethylpiperazine-1-carboxylate
CID 156743224
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 27271524

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone (CID 103715025) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c(F)c1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is FCDNSCKNTJBHEI-PHIMTYICSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-5-4-6-11(2)17(10)15(18)13-8-7-12(19-3)9-14(13)16/h7-11H,4-6H2,1-3H3/t10-,11+.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103715025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).