[8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol

C34H36N2O4 — CID 172630476

About [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol

[8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol (PubChem CID 172630476) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

• Compound Name: [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol
• PubChem CID: 172630476
• Molecular Formula: C34H36N2O4
• Molecular Weight: 536.67 g/mol
• Exact Mass: 536.27
• IUPAC Name: [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol
• SMILES: OCC1CC2(CCN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3)CC2)CO1
• InChI: InChI=1S/C34H36N2O4/c37-22-30-21-34(25-40-30)17-19-36(20-18-34)29-13-11-28(12-14-29)31-15-16-32(38-23-26-7-3-1-4-8-26)35-33(31)39-24-27-9-5-2-6-10-27/h1-16,30,37H,17-25H2
• InChIKey: QTYCWKJTKRGZGF-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 64.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.67
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol?

The IUPAC name of [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol (CID 172630476) is [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol.

What is the SMILES notation for [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol?

The canonical SMILES for [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol is OCC1CC2(CCN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3)CC2)CO1.

What is the InChIKey of [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol?

The InChIKey is QTYCWKJTKRGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c37-22-30-21-34(25-40-30)17-19-36(20-18-34)29-13-11-28(12-14-29)31-15-16-32(38-23-26-7-3-1-4-8-26)35-33(31)39-24-27-9-5-2-6-10-27/h1-16,30,37H,17-25H2.

What are the key properties of [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol?

[8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol has a molecular weight of 536.67 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 172630476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).