methyl 2-methyl-3-piperidin-3-ylpropanoate

C10H19NO2 — CID 83876565

IUPACmethyl 2-methyl-3-piperidin-3-ylpropanoate
SMILESCOC(=O)C(C)CC1CCCNC1
InChIInChI=1S/C10H19NO2/c1-8(10(12)13-2)6-9-4-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyRHTTZYUBDAHMAC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.19
Rot. Bonds3

About methyl 2-methyl-3-piperidin-3-ylpropanoate

methyl 2-methyl-3-piperidin-3-ylpropanoate (PubChem CID 83876565) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-methyl-3-piperidin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-piperidin-3-ylpropanoate
PubChem CID83876565
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-methyl-3-piperidin-3-ylpropanoate
SMILESCOC(=O)C(C)CC1CCCNC1
InChIInChI=1S/C10H19NO2/c1-8(10(12)13-2)6-9-4-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyRHTTZYUBDAHMAC-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-piperidin-3-ylpropanoate?
The IUPAC name of methyl 2-methyl-3-piperidin-3-ylpropanoate (CID 83876565) is methyl 2-methyl-3-piperidin-3-ylpropanoate.
What is the SMILES notation for methyl 2-methyl-3-piperidin-3-ylpropanoate?
The canonical SMILES for methyl 2-methyl-3-piperidin-3-ylpropanoate is COC(=O)C(C)CC1CCCNC1.
What is the InChIKey of methyl 2-methyl-3-piperidin-3-ylpropanoate?
The InChIKey is RHTTZYUBDAHMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(10(12)13-2)6-9-4-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 2-methyl-3-piperidin-3-ylpropanoate?
methyl 2-methyl-3-piperidin-3-ylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-piperidin-3-ylpropanoate is sourced from PubChem (CID 83876565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).