ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate

C15H29NO2 — CID 57031828

IUPACethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CC1(CC)NCCCC1CC
InChIInChI=1S/C15H29NO2/c1-5-13-9-8-10-16-15(13,6-2)11-12(4)14(17)18-7-3/h12-13,16H,5-11H2,1-4H3
InChIKeyNELVMRIQAYPABB-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate

ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate (PubChem CID 57031828) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate
PubChem CID57031828
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CC1(CC)NCCCC1CC
InChIInChI=1S/C15H29NO2/c1-5-13-9-8-10-16-15(13,6-2)11-12(4)14(17)18-7-3/h12-13,16H,5-11H2,1-4H3
InChIKeyNELVMRIQAYPABB-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate (CID 57031828) is ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate is CCOC(=O)C(C)CC1(CC)NCCCC1CC.
What is the InChIKey of ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate?
The InChIKey is NELVMRIQAYPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-13-9-8-10-16-15(13,6-2)11-12(4)14(17)18-7-3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate?
ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-diethylpiperidin-2-yl)-2-methylpropanoate is sourced from PubChem (CID 57031828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).