2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid

C14H26N2O3 — CID 79927900

IUPAC2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-12(2)10-14(11(17)18,13(3,4)19-12)16-8-6-15(5)7-9-16/h6-10H2,1-5H3,(H,17,18)
InChIKeyIECKCJLONGOPFB-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.03
Rot. Bonds2

About 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid

2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid (PubChem CID 79927900) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid
PubChem CID79927900
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid
SMILESCN1CCN(C2(C(=O)O)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-12(2)10-14(11(17)18,13(3,4)19-12)16-8-6-15(5)7-9-16/h6-10H2,1-5H3,(H,17,18)
InChIKeyIECKCJLONGOPFB-UHFFFAOYSA-N
XLogP1.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid?
The IUPAC name of 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid (CID 79927900) is 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid is CN1CCN(C2(C(=O)O)CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid?
The InChIKey is IECKCJLONGOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(2)10-14(11(17)18,13(3,4)19-12)16-8-6-15(5)7-9-16/h6-10H2,1-5H3,(H,17,18).
What are the key properties of 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid?
2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-(4-methylpiperazin-1-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 79927900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).