2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone

C15H22N2O2 — CID 61399395

IUPAC2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C15H22N2O2/c1-16-10-13-5-3-7-17(11-13)15(19)9-12-4-2-6-14(18)8-12/h2,4,6,8,13,16,18H,3,5,7,9-11H2,1H3
InChIKeyITQQHZYWWUBWDB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.39
Rot. Bonds4

About 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone

2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 61399395) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID61399395
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C15H22N2O2/c1-16-10-13-5-3-7-17(11-13)15(19)9-12-4-2-6-14(18)8-12/h2,4,6,8,13,16,18H,3,5,7,9-11H2,1H3
InChIKeyITQQHZYWWUBWDB-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 63263153
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide
CID 70734679
1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
2-(3-bromo-4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 119397501
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 119396607

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone (CID 61399395) is 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCCN(C(=O)Cc2cccc(O)c2)C1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is ITQQHZYWWUBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-10-13-5-3-7-17(11-13)15(19)9-12-4-2-6-14(18)8-12/h2,4,6,8,13,16,18H,3,5,7,9-11H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 61399395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).