methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate

C12H24N2O3 — CID 113436609

IUPACmethyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN1C(C)CCCC1CN
InChIInChI=1S/C12H24N2O3/c1-9-5-4-6-10(7-13)14(9)8-12(2,16)11(15)17-3/h9-10,16H,4-8,13H2,1-3H3
InChIKeyXTZRESRLBABYRF-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.11
Rot. Bonds4

About methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate

methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate (PubChem CID 113436609) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate
PubChem CID113436609
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN1C(C)CCCC1CN
InChIInChI=1S/C12H24N2O3/c1-9-5-4-6-10(7-13)14(9)8-12(2,16)11(15)17-3/h9-10,16H,4-8,13H2,1-3H3
InChIKeyXTZRESRLBABYRF-UHFFFAOYSA-N
XLogP0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]pentan-3-ol
CID 114496475
methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
CID 104968691
[1-(3,3-dimethylbutyl)-6-methylpiperidin-2-yl]methanamine
CID 63555053
1-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methoxy-2-methylbutan-1-one
CID 114106030
[1-(2-tert-butylsulfonylethyl)-6-methylpiperidin-2-yl]methanamine
CID 106725692
methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-methylbutanoate
CID 79413973
methyl 2-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63908288
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropan-2-ol
CID 131140899
[6-methyl-1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64565715
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
3-[2-(aminomethyl)-6-methylpiperidin-1-yl]propane-1,2-diol
CID 82849763
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 103535263

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate (CID 113436609) is methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CN1C(C)CCCC1CN.
What is the InChIKey of methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate?
The InChIKey is XTZRESRLBABYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9-5-4-6-10(7-13)14(9)8-12(2,16)11(15)17-3/h9-10,16H,4-8,13H2,1-3H3.
What are the key properties of methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate?
methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 113436609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).