3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)

C105H202F8N14 — CID 167585174

About 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)

3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine) (PubChem CID 167585174) has the molecular formula C105H202F8N14 and a molecular weight of 1812.85 g/mol. Its IUPAC name is 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine).

Molecular Properties

• Compound Name: 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)
• PubChem CID: 167585174
• Molecular Formula: C105H202F8N14
• Molecular Weight: 1812.85 g/mol
• Exact Mass: 1811.61
• IUPAC Name: 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)
• SMILES: CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1
• InChI: InChI=1S/3C15H28F2N2.2C15H29FN2.2C15H30N2/c1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;2*1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4;2*1-12(2)9-14-5-7-16(8-6-14)15-10-17(11-15)13(3)4/h3*11-14H,5-10H2,1-4H3;2*12-14H,5-11H2,1-4H3;2*12-15H,5-11H2,1-4H3
• InChIKey: HRZWNVLDTKEZPH-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 45.36 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 28
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1812.85
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)?

The IUPAC name of 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine) (CID 167585174) is 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine).

What is the SMILES notation for 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)?

The canonical SMILES for 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine) is CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CCN(C2CN(C(C)C)C2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2(F)F)C1.

What is the InChIKey of 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)?

The InChIKey is HRZWNVLDTKEZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H28F2N2.2C15H29FN2.2C15H30N2/c1-11(2)7-13-8-19(9-13)14-5-6-18(12(3)4)10-15(14,16)17;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;2*1-12(2)9-15(16)10-18(11-15)14-5-7-17(8-6-14)13(3)4;2*1-12(2)9-14-5-7-16(8-6-14)15-10-17(11-15)13(3)4/h3*11-14H,5-10H2,1-4H3;2*12-14H,5-11H2,1-4H3;2*12-15H,5-11H2,1-4H3.

What are the key properties of 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine)?

3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine) has a molecular weight of 1812.85 g/mol, XLogP of 20.78, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);bis(4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine) is sourced from PubChem (CID 167585174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).