methyl 2-(4,4-diethylpiperidin-1-yl)propanoate

C13H25NO2 — CID 63158633

IUPACmethyl 2-(4,4-diethylpiperidin-1-yl)propanoate
SMILESCCC1(CC)CCN(C(C)C(=O)OC)CC1
InChIInChI=1S/C13H25NO2/c1-5-13(6-2)7-9-14(10-8-13)11(3)12(15)16-4/h11H,5-10H2,1-4H3
InChIKeyQAQXPWPXSQQOEK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds4

About methyl 2-(4,4-diethylpiperidin-1-yl)propanoate

methyl 2-(4,4-diethylpiperidin-1-yl)propanoate (PubChem CID 63158633) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 2-(4,4-diethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4,4-diethylpiperidin-1-yl)propanoate
PubChem CID63158633
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 2-(4,4-diethylpiperidin-1-yl)propanoate
SMILESCCC1(CC)CCN(C(C)C(=O)OC)CC1
InChIInChI=1S/C13H25NO2/c1-5-13(6-2)7-9-14(10-8-13)11(3)12(15)16-4/h11H,5-10H2,1-4H3
InChIKeyQAQXPWPXSQQOEK-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-diethylpiperidin-1-yl)propanoate?
The IUPAC name of methyl 2-(4,4-diethylpiperidin-1-yl)propanoate (CID 63158633) is methyl 2-(4,4-diethylpiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(4,4-diethylpiperidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(4,4-diethylpiperidin-1-yl)propanoate is CCC1(CC)CCN(C(C)C(=O)OC)CC1.
What is the InChIKey of methyl 2-(4,4-diethylpiperidin-1-yl)propanoate?
The InChIKey is QAQXPWPXSQQOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(6-2)7-9-14(10-8-13)11(3)12(15)16-4/h11H,5-10H2,1-4H3.
What are the key properties of methyl 2-(4,4-diethylpiperidin-1-yl)propanoate?
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-diethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 63158633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).