MMKOFRBFFNBGDX-UHFFFAOYSA-N

C₁₈H₂₈F₃N₃ — CID 151092475

About MMKOFRBFFNBGDX-UHFFFAOYSA-N

MMKOFRBFFNBGDX-UHFFFAOYSA-N (PubChem CID 151092475) has the molecular formula C₁₈H₂₈F₃N₃ and a molecular weight of 343.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine.

Molecular Properties

• Compound Name: MMKOFRBFFNBGDX-UHFFFAOYSA-N
• PubChem CID: 151092475
• Molecular Formula: C₁₈H₂₈F₃N₃
• Molecular Weight: 343.44 g/mol
• Exact Mass: 343.22
• IUPAC Name: 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine
• SMILES: CC(C)(C)CNCCN1CCC(c2cccc(C(F)(F)F)n2)CC1
• InChI: InChI=1S/C18H28F3N3/c1-17(2,3)13-22-9-12-24-10-7-14(8-11-24)15-5-4-6-16(23-15)18(19,20)21/h4-6,14,22H,7-13H2,1-3H3
• InChIKey: MMKOFRBFFNBGDX-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.44
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of MMKOFRBFFNBGDX-UHFFFAOYSA-N (CID 151092475) is 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine.

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

The canonical SMILES for MMKOFRBFFNBGDX-UHFFFAOYSA-N is CC(C)(C)CNCCN1CCC(c2cccc(C(F)(F)F)n2)CC1.

What is the InChIKey of MMKOFRBFFNBGDX-UHFFFAOYSA-N?

The InChIKey is MMKOFRBFFNBGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N3/c1-17(2,3)13-22-9-12-24-10-7-14(8-11-24)15-5-4-6-16(23-15)18(19,20)21/h4-6,14,22H,7-13H2,1-3H3.

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

MMKOFRBFFNBGDX-UHFFFAOYSA-N has a molecular weight of 343.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for MMKOFRBFFNBGDX-UHFFFAOYSA-N is sourced from PubChem (CID 151092475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151092475 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.