(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C14H20N2O3 — CID 107725091

IUPAC(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C14H20N2O3/c1-15-9-10-4-6-16(7-5-10)14(19)12-8-11(17)2-3-13(12)18/h2-3,8,10,15,17-18H,4-7,9H2,1H3
InChIKeyJRZBXLABAGOOPX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.17
Rot. Bonds3

About (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 107725091) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID107725091
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(O)ccc2O)CC1
InChIInChI=1S/C14H20N2O3/c1-15-9-10-4-6-16(7-5-10)14(19)12-8-11(17)2-3-13(12)18/h2-3,8,10,15,17-18H,4-7,9H2,1H3
InChIKeyJRZBXLABAGOOPX-UHFFFAOYSA-N
XLogP1.17
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103892642
(2,5-difluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543787
(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107732049
(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 107725091) is (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(O)ccc2O)CC1.
What is the InChIKey of (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is JRZBXLABAGOOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-9-10-4-6-16(7-5-10)14(19)12-8-11(17)2-3-13(12)18/h2-3,8,10,15,17-18H,4-7,9H2,1H3.
What are the key properties of (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107725091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).