(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

C15H22N2O3 — CID 114498303

IUPAC(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cccc(OC)c2O)CC1C
InChIInChI=1S/C15H22N2O3/c1-10-9-17(8-7-12(10)16-2)15(19)11-5-4-6-13(20-3)14(11)18/h4-6,10,12,16,18H,7-9H2,1-3H3
InChIKeyFRZXZTYUFIZDGT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.47
Rot. Bonds3

About (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114498303) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID114498303
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cccc(OC)c2O)CC1C
InChIInChI=1S/C15H22N2O3/c1-10-9-17(8-7-12(10)16-2)15(19)11-5-4-6-13(20-3)14(11)18/h4-6,10,12,16,18H,7-9H2,1-3H3
InChIKeyFRZXZTYUFIZDGT-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
CID 118769350
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 114498303) is (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cccc(OC)c2O)CC1C.
What is the InChIKey of (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is FRZXZTYUFIZDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-9-17(8-7-12(10)16-2)15(19)11-5-4-6-13(20-3)14(11)18/h4-6,10,12,16,18H,7-9H2,1-3H3.
What are the key properties of (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114498303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).