(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

C15H22N2O2 — CID 102954936

IUPAC(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cccc(C)c2N)CCC1C
InChIInChI=1S/C15H22N2O2/c1-10-7-8-17(9-13(10)19-3)15(18)12-6-4-5-11(2)14(12)16/h4-6,10,13H,7-9,16H2,1-3H3
InChIKeyVYTHOJPXDRWHKU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.07
Rot. Bonds2

About (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102954936) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102954936
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cccc(C)c2N)CCC1C
InChIInChI=1S/C15H22N2O2/c1-10-7-8-17(9-13(10)19-3)15(18)12-6-4-5-11(2)14(12)16/h4-6,10,13H,7-9,16H2,1-3H3
InChIKeyVYTHOJPXDRWHKU-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.07
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-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
(3-amino-2-bromophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102955000
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954888
(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
(2-amino-3-methoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530159
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091780

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102954936) is (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2cccc(C)c2N)CCC1C.
What is the InChIKey of (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is VYTHOJPXDRWHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-7-8-17(9-13(10)19-3)15(18)12-6-4-5-11(2)14(12)16/h4-6,10,13H,7-9,16H2,1-3H3.
What are the key properties of (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102954936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).