1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate

C31H58N2O6 — CID 121244541

About 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate

1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate (PubChem CID 121244541) has the molecular formula C31H58N2O6 and a molecular weight of 554.81 g/mol. Its IUPAC name is 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate.

Molecular Properties

• Compound Name: 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate
• PubChem CID: 121244541
• Molecular Formula: C31H58N2O6
• Molecular Weight: 554.81 g/mol
• Exact Mass: 554.43
• IUPAC Name: 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate
• SMILES: CC(C)C1CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1O
• InChI: InChI=1S/C31H58N2O6/c1-22(2)26-18-24(19-29(5,6)32(26)36)38-27(34)16-14-12-10-11-13-15-17-28(35)39-25-20-30(7,8)33(37)31(9,21-25)23(3)4/h22-26,36-37H,10-21H2,1-9H3
• InChIKey: RAPNKENXROSGGZ-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 99.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.81
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate?

The IUPAC name of 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate (CID 121244541) is 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate.

What is the SMILES notation for 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate?

The canonical SMILES for 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate is CC(C)C1CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC(C)(C)N1O.

What is the InChIKey of 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate?

The InChIKey is RAPNKENXROSGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N2O6/c1-22(2)26-18-24(19-29(5,6)32(26)36)38-27(34)16-14-12-10-11-13-15-17-28(35)39-25-20-30(7,8)33(37)31(9,21-25)23(3)4/h22-26,36-37H,10-21H2,1-9H3.

What are the key properties of 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate?

1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate has a molecular weight of 554.81 g/mol, XLogP of 6.90, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-(1-hydroxy-2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 10-O-(1-hydroxy-2,2,6-trimethyl-6-propan-2-ylpiperidin-4-yl) decanedioate is sourced from PubChem (CID 121244541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).