methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate

C13H25NO2 — CID 79621228

IUPACmethyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCC(C)C1C
InChIInChI=1S/C13H25NO2/c1-10-7-6-8-14(11(10)2)9-13(3,4)12(15)16-5/h10-11H,6-9H2,1-5H3
InChIKeyOGOVZSBOHOTNTH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds3

About methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate

methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79621228) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
PubChem CID79621228
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCC(C)C1C
InChIInChI=1S/C13H25NO2/c1-10-7-6-8-14(11(10)2)9-13(3,4)12(15)16-5/h10-11H,6-9H2,1-5H3
InChIKeyOGOVZSBOHOTNTH-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,2-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)propanoate
CID 79621399
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,2-dimethylpropanoate
CID 79620591
methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79624509
methyl 2,2-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 79938716
methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 62123088
methyl 1-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxylate
CID 159406429
methyl 2,2-dimethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanoate
CID 79624007
methyl 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanoate
CID 79624536
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62272069
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572
3-(2,3-dimethylpiperidin-1-yl)-N,2,2-trimethylpropan-1-amine
CID 62257220
ethyl 2-cyclopropyl-3-(2,3-dimethylpiperidin-1-yl)-2-(ethylamino)propanoate
CID 63926194

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate (CID 79621228) is methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCCC(C)C1C.
What is the InChIKey of methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is OGOVZSBOHOTNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-7-6-8-14(11(10)2)9-13(3,4)12(15)16-5/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79621228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).