(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 106585622

IUPAC(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-7-13(16)14(11)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10,16H2,1-2H3
InChIKeyJNRXXOMBDLPZLK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.08
Rot. Bonds3

About (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106585622) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106585622
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H22N2O2/c1-11-5-3-7-13(16)14(11)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10,16H2,1-2H3
InChIKeyJNRXXOMBDLPZLK-UHFFFAOYSA-N
XLogP2.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-6-methylphenyl)-[3-(methoxymethyl)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

(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766
(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102753
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3,6-dimethylbenzoic acid
CID 103429118
(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585611
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 106588207
(2-methoxy-6-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97117578
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106585622) is (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2c(C)cccc2N)C1.
What is the InChIKey of (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is JNRXXOMBDLPZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-3-7-13(16)14(11)15(18)17-8-4-6-12(9-17)10-19-2/h3,5,7,12H,4,6,8-10,16H2,1-2H3.
What are the key properties of (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106585622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).