1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol

C27H29N3O2 — CID 118581794

About 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol

1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol (PubChem CID 118581794) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol.

Molecular Properties

• Compound Name: 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol
• PubChem CID: 118581794
• Molecular Formula: C27H29N3O2
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.23
• IUPAC Name: 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol
• SMILES: CN1c2ccccc2C(C)(C)C12C=Nc1c(cc(N3CCCCC3)c3ccc(O)cc13)O2
• InChI: InChI=1S/C27H29N3O2/c1-26(2)21-9-5-6-10-22(21)29(3)27(26)17-28-25-20-15-18(31)11-12-19(20)23(16-24(25)32-27)30-13-7-4-8-14-30/h5-6,9-12,15-17,31H,4,7-8,13-14H2,1-3H3
• InChIKey: BMEABIRGMABDMT-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 48.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol?

The IUPAC name of 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol (CID 118581794) is 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol.

What is the SMILES notation for 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol?

The canonical SMILES for 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol is CN1c2ccccc2C(C)(C)C12C=Nc1c(cc(N3CCCCC3)c3ccc(O)cc13)O2.

What is the InChIKey of 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol?

The InChIKey is BMEABIRGMABDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-26(2)21-9-5-6-10-22(21)29(3)27(26)17-28-25-20-15-18(31)11-12-19(20)23(16-24(25)32-27)30-13-7-4-8-14-30/h5-6,9-12,15-17,31H,4,7-8,13-14H2,1-3H3.

What are the key properties of 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol?

1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol has a molecular weight of 427.55 g/mol, XLogP of 5.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-ol is sourced from PubChem (CID 118581794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).