1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine

C₅₀H₈₈F₈N₄ — CID 157065437

About 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine

1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine (PubChem CID 157065437) has the molecular formula C₅₀H₈₈F₈N₄ and a molecular weight of 897.27 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine
• PubChem CID: 157065437
• Molecular Formula: C₅₀H₈₈F₈N₄
• Molecular Weight: 897.27 g/mol
• Exact Mass: 896.69
• IUPAC Name: 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine
• SMILES: CC(C)C1CCN(C2CC(F)(F)C2)CC1.CC(C)C1CCN(C2CC2(F)F)CC1.CC(C)C1CCN(C2CCC(F)(F)C2)CC1.CC(C)C1CCN(C2CCC(F)(F)CC2)CC1
• InChI: InChI=1S/C14H25F2N.C13H23F2N.C12H21F2N.C11H19F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13;1-10(2)11-4-7-16(8-5-11)12-3-6-13(14,15)9-12;1-9(2)10-3-5-15(6-4-10)11-7-12(13,14)8-11;1-8(2)9-3-5-14(6-4-9)10-7-11(10,12)13/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3
• InChIKey: ABVAQJXQGRHNDR-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.27
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?

The IUPAC name of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine (CID 157065437) is 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine.

What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?

The canonical SMILES for 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2CC(F)(F)C2)CC1.CC(C)C1CCN(C2CC2(F)F)CC1.CC(C)C1CCN(C2CCC(F)(F)C2)CC1.CC(C)C1CCN(C2CCC(F)(F)CC2)CC1.

What is the InChIKey of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?

The InChIKey is ABVAQJXQGRHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N.C13H23F2N.C12H21F2N.C11H19F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13;1-10(2)11-4-7-16(8-5-11)12-3-6-13(14,15)9-12;1-9(2)10-3-5-15(6-4-10)11-7-12(13,14)8-11;1-8(2)9-3-5-14(6-4-9)10-7-11(10,12)13/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3.

What are the key properties of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?

1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine has a molecular weight of 897.27 g/mol, XLogP of 13.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 157065437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157065437 — identifiers, structure, computed properties (public domain)

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