2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid

C30H56N2O4 — CID 11706150

IUPAC2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid
SMILESCN1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4/c1-26(2)18-22(19-27(3,4)31(26)9)30(25(35)36,17-15-13-11-12-14-16-24(33)34)23-20-28(5,6)32(10)29(7,8)21-23/h22-23H,11-21H2,1-10H3,(H,33,34)(H,35,36)
InChIKeyDHNHVRTWXFSWDS-UHFFFAOYSA-N
MW508.79 g/mol
LogP6.67
Rot. Bonds11

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

2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid (PubChem CID 11706150) has the molecular formula C30H56N2O4 and a molecular weight of 508.79 g/mol. Its IUPAC name is 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid
PubChem CID11706150
Molecular FormulaC30H56N2O4
Molecular Weight508.79 g/mol
Exact Mass508.42
IUPAC Name2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid
SMILESCN1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4/c1-26(2)18-22(19-27(3,4)31(26)9)30(25(35)36,17-15-13-11-12-14-16-24(33)34)23-20-28(5,6)32(10)29(7,8)21-23/h22-23H,11-21H2,1-10H3,(H,33,34)(H,35,36)
InChIKeyDHNHVRTWXFSWDS-UHFFFAOYSA-N
XLogP6.67
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid?
The IUPAC name of 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid (CID 11706150) is 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid is CN1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid?
The InChIKey is DHNHVRTWXFSWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O4/c1-26(2)18-22(19-27(3,4)31(26)9)30(25(35)36,17-15-13-11-12-14-16-24(33)34)23-20-28(5,6)32(10)29(7,8)21-23/h22-23H,11-21H2,1-10H3,(H,33,34)(H,35,36).
What are the key properties of 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid?
2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid has a molecular weight of 508.79 g/mol, XLogP of 6.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 11706150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).