10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate

C29H54N2O5 — CID 59915332

IUPAC10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C29H54N2O5/c1-26(2)18-22(19-27(3,4)30(26)9)35-24(32)16-14-12-10-11-13-15-17-25(33)36-23-20-28(5,6)31(34)29(7,8)21-23/h22-23,34H,10-21H2,1-9H3
InChIKeyUGJIWJBMKUHADY-UHFFFAOYSA-N
MW510.76 g/mol
LogP6.26
Rot. Bonds11

About 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate

10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate (PubChem CID 59915332) has the molecular formula C29H54N2O5 and a molecular weight of 510.76 g/mol. Its IUPAC name is 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate.

Molecular Properties

Compound Name10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
PubChem CID59915332
Molecular FormulaC29H54N2O5
Molecular Weight510.76 g/mol
Exact Mass510.40
IUPAC Name10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
SMILESCN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C29H54N2O5/c1-26(2)18-22(19-27(3,4)30(26)9)35-24(32)16-14-12-10-11-13-15-17-25(33)36-23-20-28(5,6)31(34)29(7,8)21-23/h22-23,34H,10-21H2,1-9H3
InChIKeyUGJIWJBMKUHADY-UHFFFAOYSA-N
XLogP6.26
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.76
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
The IUPAC name of 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate (CID 59915332) is 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate.
What is the SMILES notation for 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
The canonical SMILES for 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate is CN1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
The InChIKey is UGJIWJBMKUHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N2O5/c1-26(2)18-22(19-27(3,4)30(26)9)35-24(32)16-14-12-10-11-13-15-17-25(33)36-23-20-28(5,6)31(34)29(7,8)21-23/h22-23,34H,10-21H2,1-9H3.
What are the key properties of 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate?
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate has a molecular weight of 510.76 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 59915332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).