bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate

C34H54N2O4 — CID 59107242

IUPACbis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCC(=Cc2ccccc2)CCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H54N2O4/c1-31(2)21-27(22-32(3,4)35(31)9)39-29(37)18-16-26(20-25-14-12-11-13-15-25)17-19-30(38)40-28-23-33(5,6)36(10)34(7,8)24-28/h11-15,20,27-28H,16-19,21-24H2,1-10H3
InChIKeyZMSVKQIDXGGWNH-UHFFFAOYSA-N
MW554.82 g/mol
LogP7.02
Rot. Bonds9

About bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate (PubChem CID 59107242) has the molecular formula C34H54N2O4 and a molecular weight of 554.82 g/mol. Its IUPAC name is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate.

Molecular Properties

Compound Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate
PubChem CID59107242
Molecular FormulaC34H54N2O4
Molecular Weight554.82 g/mol
Exact Mass554.41
IUPAC Namebis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCC(=Cc2ccccc2)CCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H54N2O4/c1-31(2)21-27(22-32(3,4)35(31)9)39-29(37)18-16-26(20-25-14-12-11-13-15-25)17-19-30(38)40-28-23-33(5,6)36(10)34(7,8)24-28/h11-15,20,27-28H,16-19,21-24H2,1-10H3
InChIKeyZMSVKQIDXGGWNH-UHFFFAOYSA-N
XLogP7.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.82
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate?
The IUPAC name of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate (CID 59107242) is bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate.
What is the SMILES notation for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate?
The canonical SMILES for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate is CN1C(C)(C)CC(OC(=O)CCC(=Cc2ccccc2)CCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate?
The InChIKey is ZMSVKQIDXGGWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N2O4/c1-31(2)21-27(22-32(3,4)35(31)9)39-29(37)18-16-26(20-25-14-12-11-13-15-25)17-19-30(38)40-28-23-33(5,6)36(10)34(7,8)24-28/h11-15,20,27-28H,16-19,21-24H2,1-10H3.
What are the key properties of bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate?
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate has a molecular weight of 554.82 g/mol, XLogP of 7.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate is sourced from PubChem (CID 59107242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).