[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone

C17H26N2O2 — CID 115963404

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCOC1CCN(C(=O)c2c(C)cc(C)cc2C)C(CN)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)16(13(3)8-11)17(20)19-6-5-15(21-4)9-14(19)10-18/h7-8,14-15H,5-6,9-10,18H2,1-4H3
InChIKeyMOEGEGNJRGPILR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 115963404) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID115963404
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCOC1CCN(C(=O)c2c(C)cc(C)cc2C)C(CN)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)16(13(3)8-11)17(20)19-6-5-15(21-4)9-14(19)10-18/h7-8,14-15H,5-6,9-10,18H2,1-4H3
InChIKeyMOEGEGNJRGPILR-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 112622228
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone
CID 112622341
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 115963439
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 115963268
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 112622199
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671747
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119033810
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 115963358
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 112622301

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone (CID 115963404) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone is COC1CCN(C(=O)c2c(C)cc(C)cc2C)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is MOEGEGNJRGPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-7-12(2)16(13(3)8-11)17(20)19-6-5-15(21-4)9-14(19)10-18/h7-8,14-15H,5-6,9-10,18H2,1-4H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.19, 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]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 115963404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).