(2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one

C30H49NO2 — CID 70401551

About (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one

(2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one (PubChem CID 70401551) has the molecular formula C30H49NO2 and a molecular weight of 455.73 g/mol. Its IUPAC name is (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one.

Molecular Properties

• Compound Name: (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one
• PubChem CID: 70401551
• Molecular Formula: C30H49NO2
• Molecular Weight: 455.73 g/mol
• Exact Mass: 455.38
• IUPAC Name: (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCCC(O)C1
• InChI: InChI=1S/C30H49NO2/c1-24(2)12-7-13-25(3)14-8-15-26(4)16-9-17-27(5)18-10-19-28(6)22-30(33)31-21-11-20-29(32)23-31/h12,14,16,18,22,29,32H,7-11,13,15,17,19-21,23H2,1-6H3/b25-14+,26-16+,27-18+,28-22+
• InChIKey: YBGQWQWKTIFHCU-WGMFPTMNSA-N
• XLogP: 7.84
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.73
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?

The IUPAC name of (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one (CID 70401551) is (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one.

What is the SMILES notation for (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?

The canonical SMILES for (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCCC(O)C1.

What is the InChIKey of (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?

The InChIKey is YBGQWQWKTIFHCU-WGMFPTMNSA-N. The full InChI is InChI=1S/C30H49NO2/c1-24(2)12-7-13-25(3)14-8-15-26(4)16-9-17-27(5)18-10-19-28(6)22-30(33)31-21-11-20-29(32)23-31/h12,14,16,18,22,29,32H,7-11,13,15,17,19-21,23H2,1-6H3/b25-14+,26-16+,27-18+,28-22+.

What are the key properties of (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one?

(2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one has a molecular weight of 455.73 g/mol, XLogP of 7.84, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one is sourced from PubChem (CID 70401551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).