1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone

C15H22N2O3 — CID 115963360

IUPAC1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESCOC1CCN(C(=O)Cc2ccccc2O)C(CN)C1
InChIInChI=1S/C15H22N2O3/c1-20-13-6-7-17(12(9-13)10-16)15(19)8-11-4-2-3-5-14(11)18/h2-5,12-13,18H,6-10,16H2,1H3
InChIKeyYLDHKIJCYDJNHY-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone (PubChem CID 115963360) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
PubChem CID115963360
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESCOC1CCN(C(=O)Cc2ccccc2O)C(CN)C1
InChIInChI=1S/C15H22N2O3/c1-20-13-6-7-17(12(9-13)10-16)15(19)8-11-4-2-3-5-14(11)18/h2-5,12-13,18H,6-10,16H2,1H3
InChIKeyYLDHKIJCYDJNHY-UHFFFAOYSA-N
XLogP0.90
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-3-phenoxypropan-1-one
CID 115963342
1-[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 99714963
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]but-3-en-1-one
CID 112622247
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120613580
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 115963335
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone (CID 115963360) is 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone is COC1CCN(C(=O)Cc2ccccc2O)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The InChIKey is YLDHKIJCYDJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-13-6-7-17(12(9-13)10-16)15(19)8-11-4-2-3-5-14(11)18/h2-5,12-13,18H,6-10,16H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone?
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 115963360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).