1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate

C34H35FN2O4 — CID 168873319

About 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate

1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate (PubChem CID 168873319) has the molecular formula C34H35FN2O4 and a molecular weight of 554.66 g/mol. Its IUPAC name is 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate.

Molecular Properties

• Compound Name: 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate
• PubChem CID: 168873319
• Molecular Formula: C34H35FN2O4
• Molecular Weight: 554.66 g/mol
• Exact Mass: 554.26
• IUPAC Name: 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate
• SMILES: CC(=O)OC(C)C1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1
• InChI: InChI=1S/C34H35FN2O4/c1-24(41-25(2)38)28-17-19-37(20-18-28)32-15-13-29(21-31(32)35)30-14-16-33(39-22-26-9-5-3-6-10-26)36-34(30)40-23-27-11-7-4-8-12-27/h3-16,21,24,28H,17-20,22-23H2,1-2H3
• InChIKey: GNVDKZCMOQASMY-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.66
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate?

The IUPAC name of 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate (CID 168873319) is 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate.

What is the SMILES notation for 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate?

The canonical SMILES for 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate is CC(=O)OC(C)C1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1.

What is the InChIKey of 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate?

The InChIKey is GNVDKZCMOQASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN2O4/c1-24(41-25(2)38)28-17-19-37(20-18-28)32-15-13-29(21-31(32)35)30-14-16-33(39-22-26-9-5-3-6-10-26)36-34(30)40-23-27-11-7-4-8-12-27/h3-16,21,24,28H,17-20,22-23H2,1-2H3.

What are the key properties of 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate?

1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate has a molecular weight of 554.66 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorophenyl]piperidin-4-yl]ethyl acetate is sourced from PubChem (CID 168873319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).