3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane

C₁₈H₃₆F₂N₂ — CID 170569254

About 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane

3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane (PubChem CID 170569254) has the molecular formula C₁₈H₃₆F₂N₂ and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane.

Molecular Properties

• Compound Name: 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
• PubChem CID: 170569254
• Molecular Formula: C₁₈H₃₆F₂N₂
• Molecular Weight: 318.50 g/mol
• Exact Mass: 318.28
• IUPAC Name: 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
• SMILES: C=C(CN1CCCC(F)(F)C1)NC(C)C.CCCCC(C)C
• InChI: InChI=1S/C11H20F2N2.C7H16/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15;1-4-5-6-7(2)3/h9,14H,3-8H2,1-2H3;7H,4-6H2,1-3H3
• InChIKey: CPQBSKMCNDHQKQ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	318.50
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?

The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane (CID 170569254) is 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane.

What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?

The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane is C=C(CN1CCCC(F)(F)C1)NC(C)C.CCCCC(C)C.

What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?

The InChIKey is CPQBSKMCNDHQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2.C7H16/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15;1-4-5-6-7(2)3/h9,14H,3-8H2,1-2H3;7H,4-6H2,1-3H3.

What are the key properties of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane?

3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane has a molecular weight of 318.50 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane is sourced from PubChem (CID 170569254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170569254 — identifiers, structure, computed properties (public domain)

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