[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

C15H21FN2O2 — CID 115963268

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C)c(F)c2)C(CN)C1
InChIInChI=1S/C15H21FN2O2/c1-10-3-4-11(7-14(10)16)15(19)18-6-5-13(20-2)8-12(18)9-17/h3-4,7,12-13H,5-6,8-9,17H2,1-2H3
InChIKeyZQWJZWOKMIAQQZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.71
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 115963268) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID115963268
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C)c(F)c2)C(CN)C1
InChIInChI=1S/C15H21FN2O2/c1-10-3-4-11(7-14(10)16)15(19)18-6-5-13(20-2)8-12(18)9-17/h3-4,7,12-13H,5-6,8-9,17H2,1-2H3
InChIKeyZQWJZWOKMIAQQZ-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 115963439
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 115963358
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80505001
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 112622228
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119033810
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 115963326
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone (CID 115963268) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is COC1CCN(C(=O)c2ccc(C)c(F)c2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is ZQWJZWOKMIAQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-3-4-11(7-14(10)16)15(19)18-6-5-13(20-2)8-12(18)9-17/h3-4,7,12-13H,5-6,8-9,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 280.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 115963268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).