(4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone

C15H22N2O2 — CID 104783036

IUPAC(4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CC(C)CCC2C)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)17(9-10)15(18)12-6-7-13(16)14(8-12)19-3/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyJHCNLSGOAYMLDY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds2

About (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone

(4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone (PubChem CID 104783036) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
PubChem CID104783036
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CC(C)CCC2C)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)17(9-10)15(18)12-6-7-13(16)14(8-12)19-3/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyJHCNLSGOAYMLDY-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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

(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(4-amino-3-methoxyphenyl)methanone
CID 104782789
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
1-(3-methoxy-4-nitrobenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122083688
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-(2,5-dimethylpiperidin-1-yl)methanone
CID 81458683
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
(3-amino-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16786462

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone (CID 104783036) is (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone is COc1cc(C(=O)N2CC(C)CCC2C)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is JHCNLSGOAYMLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-5-11(2)17(9-10)15(18)12-6-7-13(16)14(8-12)19-3/h6-8,10-11H,4-5,9,16H2,1-3H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone?
(4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(2,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 104783036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).