(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 63972261

IUPAC(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cccc(C)c2N)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)16)15(18)17-8-6-12(7-9-17)10-19-2/h3-5,12H,6-10,16H2,1-2H3
InChIKeyTWQZPBPJXRUMGF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.08
Rot. Bonds3

About (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63972261) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63972261
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2cccc(C)c2N)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)16)15(18)17-8-6-12(7-9-17)10-19-2/h3-5,12H,6-10,16H2,1-2H3
InChIKeyTWQZPBPJXRUMGF-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'}

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Related Compounds

(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091780
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 63978245
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445
(3-bromo-2-methylphenyl)-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 97054377
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63972261) is (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2cccc(C)c2N)CC1.
What is the InChIKey of (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is TWQZPBPJXRUMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)16)15(18)17-8-6-12(7-9-17)10-19-2/h3-5,12H,6-10,16H2,1-2H3.
What are the key properties of (2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(2-amino-3-methylphenyl)-[4-(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-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63972261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).