bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate

C35H68N2O5 — CID 58097712

IUPACbis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate
SMILESCC(CON1C(C)(C)CC(OC(=O)OC2CC(C)(C)N(OCC(C)CC(C)(C)C)C(C)(C)C2)CC1(C)C)CC(C)(C)C
InChIInChI=1S/C35H68N2O5/c1-25(17-30(3,4)5)23-39-36-32(9,10)19-27(20-33(36,11)12)41-29(38)42-28-21-34(13,14)37(35(15,16)22-28)40-24-26(2)18-31(6,7)8/h25-28H,17-24H2,1-16H3
InChIKeyKWIDGSRVJVTSNN-UHFFFAOYSA-N
MW596.94 g/mol
LogP9.19
Rot. Bonds10

About bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate

bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate (PubChem CID 58097712) has the molecular formula C35H68N2O5 and a molecular weight of 596.94 g/mol. Its IUPAC name is bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate.

Molecular Properties

Compound Namebis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate
PubChem CID58097712
Molecular FormulaC35H68N2O5
Molecular Weight596.94 g/mol
Exact Mass596.51
IUPAC Namebis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate
SMILESCC(CON1C(C)(C)CC(OC(=O)OC2CC(C)(C)N(OCC(C)CC(C)(C)C)C(C)(C)C2)CC1(C)C)CC(C)(C)C
InChIInChI=1S/C35H68N2O5/c1-25(17-30(3,4)5)23-39-36-32(9,10)19-27(20-33(36,11)12)41-29(38)42-28-21-34(13,14)37(35(15,16)22-28)40-24-26(2)18-31(6,7)8/h25-28H,17-24H2,1-16H3
InChIKeyKWIDGSRVJVTSNN-UHFFFAOYSA-N
XLogP9.19
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.94
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate?
The IUPAC name of bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate (CID 58097712) is bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate.
What is the SMILES notation for bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate?
The canonical SMILES for bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate is CC(CON1C(C)(C)CC(OC(=O)OC2CC(C)(C)N(OCC(C)CC(C)(C)C)C(C)(C)C2)CC1(C)C)CC(C)(C)C.
What is the InChIKey of bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate?
The InChIKey is KWIDGSRVJVTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68N2O5/c1-25(17-30(3,4)5)23-39-36-32(9,10)19-27(20-33(36,11)12)41-29(38)42-28-21-34(13,14)37(35(15,16)22-28)40-24-26(2)18-31(6,7)8/h25-28H,17-24H2,1-16H3.
What are the key properties of bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate?
bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate has a molecular weight of 596.94 g/mol, XLogP of 9.19, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,2,6,6-tetramethyl-1-(2,4,4-trimethylpentoxy)piperidin-4-yl] carbonate is sourced from PubChem (CID 58097712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).