1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one

C15H22N2O2 — CID 104680024

IUPAC1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
SMILESCOc1ccccc1C(N)CN1CCCC(C)C1=O
InChIInChI=1S/C15H22N2O2/c1-11-6-5-9-17(15(11)18)10-13(16)12-7-3-4-8-14(12)19-2/h3-4,7-8,11,13H,5-6,9-10,16H2,1-2H3
InChIKeyKLQWJXQORYASHN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one

1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one (PubChem CID 104680024) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
PubChem CID104680024
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
SMILESCOc1ccccc1C(N)CN1CCCC(C)C1=O
InChIInChI=1S/C15H22N2O2/c1-11-6-5-9-17(15(11)18)10-13(16)12-7-3-4-8-14(12)19-2/h3-4,7-8,11,13H,5-6,9-10,16H2,1-2H3
InChIKeyKLQWJXQORYASHN-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104679977
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
CID 104679988
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
2-[2-amino-2-(2-methoxyphenyl)ethyl]pyridazin-3-one
CID 62850491
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212262
1-(2-methoxyphenyl)-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79313803

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one (CID 104680024) is 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one is COc1ccccc1C(N)CN1CCCC(C)C1=O.
What is the InChIKey of 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
The InChIKey is KLQWJXQORYASHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-5-9-17(15(11)18)10-13(16)12-7-3-4-8-14(12)19-2/h3-4,7-8,11,13H,5-6,9-10,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one?
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).