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

C14H20N2O2 — CID 59291060

IUPAC1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1cc(C2CCCCN2C(C)=O)ccc1N
InChIInChI=1S/C14H20N2O2/c1-10(17)16-8-4-3-5-13(16)11-6-7-12(15)14(9-11)18-2/h6-7,9,13H,3-5,8,15H2,1-2H3
InChIKeyNVHVZFGZEJBDIK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.35
Rot. Bonds2

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

1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone (PubChem CID 59291060) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone
PubChem CID59291060
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1cc(C2CCCCN2C(C)=O)ccc1N
InChIInChI=1S/C14H20N2O2/c1-10(17)16-8-4-3-5-13(16)11-6-7-12(15)14(9-11)18-2/h6-7,9,13H,3-5,8,15H2,1-2H3
InChIKeyNVHVZFGZEJBDIK-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.35
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

tert-butyl 2-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 102390009
1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
CID 83404783
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858
3-amino-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 119700980
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone (CID 59291060) is 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone is COc1cc(C2CCCCN2C(C)=O)ccc1N.
What is the InChIKey of 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is NVHVZFGZEJBDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)16-8-4-3-5-13(16)11-6-7-12(15)14(9-11)18-2/h6-7,9,13H,3-5,8,15H2,1-2H3.
What are the key properties of 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone?
1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-3-methoxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 59291060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).