OSPIFMYVWOUNGY-CQSZACIVSA-N

C₁₉H₃₁FN₄O₂ — CID 118162414

About OSPIFMYVWOUNGY-CQSZACIVSA-N

OSPIFMYVWOUNGY-CQSZACIVSA-N (PubChem CID 118162414) has the molecular formula C₁₉H₃₁FN₄O₂ and a molecular weight of 366.48 g/mol. Its IUPAC name is (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine.

Molecular Properties

• Compound Name: OSPIFMYVWOUNGY-CQSZACIVSA-N
• PubChem CID: 118162414
• Molecular Formula: C₁₉H₃₁FN₄O₂
• Molecular Weight: 366.48 g/mol
• Exact Mass: 366.24
• IUPAC Name: (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine
• SMILES: CCOC(OCC)c1ccc(F)c(N2CC(N3CCN(C)[C@H](C)C3)C2)n1
• InChI: InChI=1S/C19H31FN4O2/c1-5-25-19(26-6-2)17-8-7-16(20)18(21-17)24-12-15(13-24)23-10-9-22(4)14(3)11-23/h7-8,14-15,19H,5-6,9-13H2,1-4H3/t14-/m1/s1
• InChIKey: OSPIFMYVWOUNGY-CQSZACIVSA-N
• XLogP: 2.12
• TPSA: 41.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.48
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of OSPIFMYVWOUNGY-CQSZACIVSA-N?

The IUPAC name of OSPIFMYVWOUNGY-CQSZACIVSA-N (CID 118162414) is (2R)-4-[1-[6-(diethoxymethyl)-3-fluoro-2-pyridinyl]azetidin-3-yl]-1,2-dimethylpiperazine.

What is the SMILES notation for OSPIFMYVWOUNGY-CQSZACIVSA-N?

The canonical SMILES for OSPIFMYVWOUNGY-CQSZACIVSA-N is CCOC(OCC)c1ccc(F)c(N2CC(N3CCN(C)[C@H](C)C3)C2)n1.

What is the InChIKey of OSPIFMYVWOUNGY-CQSZACIVSA-N?

The InChIKey is OSPIFMYVWOUNGY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-5-25-19(26-6-2)17-8-7-16(20)18(21-17)24-12-15(13-24)23-10-9-22(4)14(3)11-23/h7-8,14-15,19H,5-6,9-13H2,1-4H3/t14-/m1/s1.

What are the key properties of OSPIFMYVWOUNGY-CQSZACIVSA-N?

OSPIFMYVWOUNGY-CQSZACIVSA-N has a molecular weight of 366.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for OSPIFMYVWOUNGY-CQSZACIVSA-N is sourced from PubChem (CID 118162414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118162414 — identifiers, structure, computed properties (public domain)

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