[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone

C14H20N2O4 — CID 107705229

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
SMILESCOC1CCN(C(=O)c2cc(O)cc(O)c2)C(CN)C1
InChIInChI=1S/C14H20N2O4/c1-20-13-2-3-16(10(6-13)8-15)14(19)9-4-11(17)7-12(18)5-9/h4-5,7,10,13,17-18H,2-3,6,8,15H2,1H3
InChIKeyIPSCLVMONJCQPM-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.68
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone (PubChem CID 107705229) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
PubChem CID107705229
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
SMILESCOC1CCN(C(=O)c2cc(O)cc(O)c2)C(CN)C1
InChIInChI=1S/C14H20N2O4/c1-20-13-2-3-16(10(6-13)8-15)14(19)9-4-11(17)7-12(18)5-9/h4-5,7,10,13,17-18H,2-3,6,8,15H2,1H3
InChIKeyIPSCLVMONJCQPM-UHFFFAOYSA-N
XLogP0.68
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 112622228
[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]-(2,4,6-trimethylphenyl)methanone
CID 115963404
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 115963358
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone
CID 112622341
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671747
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 115963362
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone (CID 107705229) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone is COC1CCN(C(=O)c2cc(O)cc(O)c2)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
The InChIKey is IPSCLVMONJCQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-13-2-3-16(10(6-13)8-15)14(19)9-4-11(17)7-12(18)5-9/h4-5,7,10,13,17-18H,2-3,6,8,15H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone has a molecular weight of 280.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 107705229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).