1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine

C33H58N2O2 — CID 121244599

About 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine

1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine (PubChem CID 121244599) has the molecular formula C33H58N2O2 and a molecular weight of 514.84 g/mol. Its IUPAC name is 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine.

Molecular Properties

• Compound Name: 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine
• PubChem CID: 121244599
• Molecular Formula: C33H58N2O2
• Molecular Weight: 514.84 g/mol
• Exact Mass: 514.45
• IUPAC Name: 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine
• SMILES: CC(ON1C(C)(C)CC(CCCC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC1(C)C(C)C)c1ccccc1
• InChI: InChI=1S/C33H58N2O2/c1-24(2)32(10)22-27(20-30(6,7)34(32)36)16-15-17-28-21-31(8,9)35(33(11,23-28)25(3)4)37-26(5)29-18-13-12-14-19-29/h12-14,18-19,24-28,36H,15-17,20-23H2,1-11H3
• InChIKey: OYONBZLQJFPMGZ-UHFFFAOYSA-N
• XLogP: 9.05
• TPSA: 35.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.84
LogP ≤ 5	9.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine?

The IUPAC name of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine (CID 121244599) is 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine.

What is the SMILES notation for 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine?

The canonical SMILES for 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine is CC(ON1C(C)(C)CC(CCCC2CC(C)(C)N(O)C(C)(C(C)C)C2)CC1(C)C(C)C)c1ccccc1.

What is the InChIKey of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine?

The InChIKey is OYONBZLQJFPMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58N2O2/c1-24(2)32(10)22-27(20-30(6,7)34(32)36)16-15-17-28-21-31(8,9)35(33(11,23-28)25(3)4)37-26(5)29-18-13-12-14-19-29/h12-14,18-19,24-28,36H,15-17,20-23H2,1-11H3.

What are the key properties of 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine?

1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine has a molecular weight of 514.84 g/mol, XLogP of 9.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-2,2,6-trimethyl-6-propan-2-yl-4-[3-[2,2,6-trimethyl-1-(1-phenylethoxy)-6-propan-2-ylpiperidin-4-yl]propyl]piperidine is sourced from PubChem (CID 121244599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).