methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate

C12H24N2O3 — CID 112622716

IUPACmethyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCC(OC)CC1CN
InChIInChI=1S/C12H24N2O3/c1-9(12(15)17-3)8-14-5-4-11(16-2)6-10(14)7-13/h9-11H,4-8,13H2,1-3H3
InChIKeyFJOFWSLLYZOWRZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.23
Rot. Bonds5

About methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate

methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate (PubChem CID 112622716) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
PubChem CID112622716
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCC(OC)CC1CN
InChIInChI=1S/C12H24N2O3/c1-9(12(15)17-3)8-14-5-4-11(16-2)6-10(14)7-13/h9-11H,4-8,13H2,1-3H3
InChIKeyFJOFWSLLYZOWRZ-UHFFFAOYSA-N
XLogP0.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropylacetamide
CID 112622714
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
CID 112622625
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 115963714
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
1-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]cyclohexan-1-ol
CID 112622604

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate (CID 112622716) is methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate is COC(=O)C(C)CN1CCC(OC)CC1CN.
What is the InChIKey of methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate?
The InChIKey is FJOFWSLLYZOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(12(15)17-3)8-14-5-4-11(16-2)6-10(14)7-13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate?
methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 112622716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).