butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol

C17H33NO6 — CID 18671066

IUPACbutanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol
SMILESCC1(C)CC(O)C(C)(C)C(C)(C)N1CCO.O=C(O)CCC(=O)O
InChIInChI=1S/C13H27NO2.C4H6O4/c1-11(2)9-10(16)12(3,4)13(5,6)14(11)7-8-15;5-3(6)1-2-4(7)8/h10,15-16H,7-9H2,1-6H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyYPKHKCLVYPUCAW-UHFFFAOYSA-N
MW347.45 g/mol
LogP1.56
Rot. Bonds5

About butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol

butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol (PubChem CID 18671066) has the molecular formula C17H33NO6 and a molecular weight of 347.45 g/mol. Its IUPAC name is butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol.

Molecular Properties

Compound Namebutanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol
PubChem CID18671066
Molecular FormulaC17H33NO6
Molecular Weight347.45 g/mol
Exact Mass347.23
IUPAC Namebutanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol
SMILESCC1(C)CC(O)C(C)(C)C(C)(C)N1CCO.O=C(O)CCC(=O)O
InChIInChI=1S/C13H27NO2.C4H6O4/c1-11(2)9-10(16)12(3,4)13(5,6)14(11)7-8-15;5-3(6)1-2-4(7)8/h10,15-16H,7-9H2,1-6H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyYPKHKCLVYPUCAW-UHFFFAOYSA-N
XLogP1.56
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol?
The IUPAC name of butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol (CID 18671066) is butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol.
What is the SMILES notation for butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol?
The canonical SMILES for butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol is CC1(C)CC(O)C(C)(C)C(C)(C)N1CCO.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol?
The InChIKey is YPKHKCLVYPUCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C4H6O4/c1-11(2)9-10(16)12(3,4)13(5,6)14(11)7-8-15;5-3(6)1-2-4(7)8/h10,15-16H,7-9H2,1-6H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol?
butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol has a molecular weight of 347.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol is sourced from PubChem (CID 18671066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).