(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C15H20FNO2 — CID 103765514

IUPAC(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(C)c2F)C1
InChIInChI=1S/C15H20FNO2/c1-11-5-3-7-13(14(11)16)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyYUELTMAFJLRBBS-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.63
Rot. Bonds3

About (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 103765514) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID103765514
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cccc(C)c2F)C1
InChIInChI=1S/C15H20FNO2/c1-11-5-3-7-13(14(11)16)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10H2,1-2H3
InChIKeyYUELTMAFJLRBBS-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-methylphenyl)-[(3R)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 124752994
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
[3-(bromomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479115
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81478415
(2-fluoro-3-methylphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775406
2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 106588207
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797
(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103800253
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 103765514) is (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2cccc(C)c2F)C1.
What is the InChIKey of (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is YUELTMAFJLRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-5-3-7-13(14(11)16)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10H2,1-2H3.
What are the key properties of (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 265.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103765514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).