3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate

C24H46N2O5 — CID 155039441

IUPAC3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate
SMILESCC(CCOC(=O)C1CC(C)(C)NC(C)(C)C1)OC(=O)C1CC(C)(C)NC(C)(C)C1.O
InChIInChI=1S/C24H44N2O4.H2O/c1-16(30-20(28)18-14-23(6,7)26-24(8,9)15-18)10-11-29-19(27)17-12-21(2,3)25-22(4,5)13-17;/h16-18,25-26H,10-15H2,1-9H3;1H2
InChIKeyDOHIXKGZJADCDG-UHFFFAOYSA-N
MW442.64 g/mol
LogP3.14
Rot. Bonds6

About 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate

3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate (PubChem CID 155039441) has the molecular formula C24H46N2O5 and a molecular weight of 442.64 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate
PubChem CID155039441
Molecular FormulaC24H46N2O5
Molecular Weight442.64 g/mol
Exact Mass442.34
IUPAC Name3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate
SMILESCC(CCOC(=O)C1CC(C)(C)NC(C)(C)C1)OC(=O)C1CC(C)(C)NC(C)(C)C1.O
InChIInChI=1S/C24H44N2O4.H2O/c1-16(30-20(28)18-14-23(6,7)26-24(8,9)15-18)10-11-29-19(27)17-12-21(2,3)25-22(4,5)13-17;/h16-18,25-26H,10-15H2,1-9H3;1H2
InChIKeyDOHIXKGZJADCDG-UHFFFAOYSA-N
XLogP3.14
TPSA108.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.64
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate (CID 155039441) is 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate is CC(CCOC(=O)C1CC(C)(C)NC(C)(C)C1)OC(=O)C1CC(C)(C)NC(C)(C)C1.O.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate?
The InChIKey is DOHIXKGZJADCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4.H2O/c1-16(30-20(28)18-14-23(6,7)26-24(8,9)15-18)10-11-29-19(27)17-12-21(2,3)25-22(4,5)13-17;/h16-18,25-26H,10-15H2,1-9H3;1H2.
What are the key properties of 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate?
3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate has a molecular weight of 442.64 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxybutyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;hydrate is sourced from PubChem (CID 155039441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).