(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C14H20N2O3 — CID 104782453

IUPAC(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCCC2CO)ccc1N
InChIInChI=1S/C14H20N2O3/c1-19-13-8-10(5-6-12(13)15)14(18)16-7-3-2-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9,15H2,1H3
InChIKeyKZLLTGPYDDDTKZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 104782453) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID104782453
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCCC2CO)ccc1N
InChIInChI=1S/C14H20N2O3/c1-19-13-8-10(5-6-12(13)15)14(18)16-7-3-2-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9,15H2,1H3
InChIKeyKZLLTGPYDDDTKZ-UHFFFAOYSA-N
XLogP1.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)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-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
(3-amino-4-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210089
(2-amino-4,5-dimethoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210017
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 104782453) is (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is COc1cc(C(=O)N2CCCCC2CO)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is KZLLTGPYDDDTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-8-10(5-6-12(13)15)14(18)16-7-3-2-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9,15H2,1H3.
What are the key properties of (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 104782453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).