2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid

C20H36N2O6 — CID 19780675

IUPAC2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid
SMILESO=C(O)CCCCCCCC(C(=O)O)(C1CCN(O)CC1)C1CCN(O)CC1
InChIInChI=1S/C20H36N2O6/c23-18(24)6-4-2-1-3-5-11-20(19(25)26,16-7-12-21(27)13-8-16)17-9-14-22(28)15-10-17/h16-17,27-28H,1-15H2,(H,23,24)(H,25,26)
InChIKeyCAVZHVZDGIPFEZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.08
Rot. Bonds11

About 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid

2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid (PubChem CID 19780675) has the molecular formula C20H36N2O6 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid
PubChem CID19780675
Molecular FormulaC20H36N2O6
Molecular Weight400.52 g/mol
Exact Mass400.26
IUPAC Name2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid
SMILESO=C(O)CCCCCCCC(C(=O)O)(C1CCN(O)CC1)C1CCN(O)CC1
InChIInChI=1S/C20H36N2O6/c23-18(24)6-4-2-1-3-5-11-20(19(25)26,16-7-12-21(27)13-8-16)17-9-14-22(28)15-10-17/h16-17,27-28H,1-15H2,(H,23,24)(H,25,26)
InChIKeyCAVZHVZDGIPFEZ-UHFFFAOYSA-N
XLogP3.08
TPSA121.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
2,2-bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)decanedioic acid
CID 22615856
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
CID 21293228
2,2-bis(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)decanedioic acid diiodide
CID 70156589
azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 118368680
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
CID 21293230
16,16,16-trihydroxyhexadecanoic acid
CID 57274124
7-cyclopropyl-7-oxoheptanoic acid
CID 24726981
octane-1,1,1,8-tetracarboxylic acid
CID 18521141
2-methyl-2-piperidin-4-yldecanedioic acid
CID 67134863
2,2-di(piperidin-1-yl)decanedioic acid
CID 67207902
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid (CID 19780675) is 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid is O=C(O)CCCCCCCC(C(=O)O)(C1CCN(O)CC1)C1CCN(O)CC1.
What is the InChIKey of 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid?
The InChIKey is CAVZHVZDGIPFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O6/c23-18(24)6-4-2-1-3-5-11-20(19(25)26,16-7-12-21(27)13-8-16)17-9-14-22(28)15-10-17/h16-17,27-28H,1-15H2,(H,23,24)(H,25,26).
What are the key properties of 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid?
2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid has a molecular weight of 400.52 g/mol, XLogP of 3.08, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1-hydroxypiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 19780675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).