[3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid

C25H29FN2O7 — CID 88545591

About [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid

[3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid (PubChem CID 88545591) has the molecular formula C25H29FN2O7 and a molecular weight of 488.51 g/mol. Its IUPAC name is [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid.

Molecular Properties

• Compound Name: [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid
• PubChem CID: 88545591
• Molecular Formula: C25H29FN2O7
• Molecular Weight: 488.51 g/mol
• Exact Mass: 488.20
• IUPAC Name: [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid
• SMILES: O=C(O)C(=O)O.O=C(c1ncccc1OCCF)C1CCN(C2Cc3ccccc3CC2O)CC1
• InChI: InChI=1S/C23H27FN2O3.C2H2O4/c24-9-13-29-21-6-3-10-25-22(21)23(28)16-7-11-26(12-8-16)19-14-17-4-1-2-5-18(17)15-20(19)27;3-1(4)2(5)6/h1-6,10,16,19-20,27H,7-9,11-15H2;(H,3,4)(H,5,6)
• InChIKey: GLYWSNZHJQMWIP-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 137.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.51
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid?

The IUPAC name of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid (CID 88545591) is [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid.

What is the SMILES notation for [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid?

The canonical SMILES for [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid is O=C(O)C(=O)O.O=C(c1ncccc1OCCF)C1CCN(C2Cc3ccccc3CC2O)CC1.

What is the InChIKey of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid?

The InChIKey is GLYWSNZHJQMWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3.C2H2O4/c24-9-13-29-21-6-3-10-25-22(21)23(28)16-7-11-26(12-8-16)19-14-17-4-1-2-5-18(17)15-20(19)27;3-1(4)2(5)6/h1-6,10,16,19-20,27H,7-9,11-15H2;(H,3,4)(H,5,6).

What are the key properties of [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid?

[3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid has a molecular weight of 488.51 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-fluoroethoxy)-2-pyridinyl]-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone;oxalic acid is sourced from PubChem (CID 88545591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).