OGHCTQQPTQSIPI-UHFFFAOYSA-N

C₂₂H₃₁FN₄ — CID 10571219

About OGHCTQQPTQSIPI-UHFFFAOYSA-N

OGHCTQQPTQSIPI-UHFFFAOYSA-N (PubChem CID 10571219) has the molecular formula C₂₂H₃₁FN₄ and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine.

Molecular Properties

• Compound Name: OGHCTQQPTQSIPI-UHFFFAOYSA-N
• PubChem CID: 10571219
• Molecular Formula: C₂₂H₃₁FN₄
• Molecular Weight: 370.52 g/mol
• Exact Mass: 370.25
• IUPAC Name: 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine
• SMILES: CCN(c1nc(F)ccc1NC(C)C)C1CCN(Cc2ccccc2)CC1
• InChI: InChI=1S/C22H31FN4/c1-4-27(22-20(24-17(2)3)10-11-21(23)25-22)19-12-14-26(15-13-19)16-18-8-6-5-7-9-18/h5-11,17,19,24H,4,12-16H2,1-3H3
• InChIKey: OGHCTQQPTQSIPI-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 31.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.52
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of OGHCTQQPTQSIPI-UHFFFAOYSA-N?

The IUPAC name of OGHCTQQPTQSIPI-UHFFFAOYSA-N (CID 10571219) is 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine.

What is the SMILES notation for OGHCTQQPTQSIPI-UHFFFAOYSA-N?

The canonical SMILES for OGHCTQQPTQSIPI-UHFFFAOYSA-N is CCN(c1nc(F)ccc1NC(C)C)C1CCN(Cc2ccccc2)CC1.

What is the InChIKey of OGHCTQQPTQSIPI-UHFFFAOYSA-N?

The InChIKey is OGHCTQQPTQSIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4/c1-4-27(22-20(24-17(2)3)10-11-21(23)25-22)19-12-14-26(15-13-19)16-18-8-6-5-7-9-18/h5-11,17,19,24H,4,12-16H2,1-3H3.

What are the key properties of OGHCTQQPTQSIPI-UHFFFAOYSA-N?

OGHCTQQPTQSIPI-UHFFFAOYSA-N has a molecular weight of 370.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for OGHCTQQPTQSIPI-UHFFFAOYSA-N is sourced from PubChem (CID 10571219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10571219 — identifiers, structure, computed properties (public domain)

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