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

C107H205F9N14 — CID 164981437

IUPACbis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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)
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)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
InChIInChI=1S/2C16H30F2N2.2C15H28F2N2.C15H29FN2.2C15H30N2/c2*1-12(2)9-14-5-7-19(10-14)15-6-8-20(13(3)4)11-16(15,17)18;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;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/h2*12-15H,5-11H2,1-4H3;2*11-14H,5-10H2,1-4H3;12-14H,5-11H2,1-4H3;2*12-15H,5-11H2,1-4H3
InChIKeyFNVDOKCEUQEWFA-UHFFFAOYSA-N
MW1858.90 g/mol
LogP21.71
Rot. Bonds28

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

bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 164981437) has the molecular formula C107H205F9N14 and a molecular weight of 1858.90 g/mol. Its IUPAC name is bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 Namebis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 CID164981437
Molecular FormulaC107H205F9N14
Molecular Weight1858.90 g/mol
Exact Mass1857.63
IUPAC Namebis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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)
SMILESCC(C)CC1(F)CN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)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
InChIInChI=1S/2C16H30F2N2.2C15H28F2N2.C15H29FN2.2C15H30N2/c2*1-12(2)9-14-5-7-19(10-14)15-6-8-20(13(3)4)11-16(15,17)18;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;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/h2*12-15H,5-11H2,1-4H3;2*11-14H,5-10H2,1-4H3;12-14H,5-11H2,1-4H3;2*12-15H,5-11H2,1-4H3
InChIKeyFNVDOKCEUQEWFA-UHFFFAOYSA-N
XLogP21.71
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.90
LogP ≤ 521.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 164981437) is bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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)CC1CCN(C2CCN(C(C)C)CC2(F)F)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)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.
What is the InChIKey of bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 FNVDOKCEUQEWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H30F2N2.2C15H28F2N2.C15H29FN2.2C15H30N2/c2*1-12(2)9-14-5-7-19(10-14)15-6-8-20(13(3)4)11-16(15,17)18;2*1-11(2)7-13-5-6-18(10-15(13,16)17)14-8-19(9-14)12(3)4;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/h2*12-15H,5-11H2,1-4H3;2*11-14H,5-10H2,1-4H3;12-14H,5-11H2,1-4H3;2*12-15H,5-11H2,1-4H3.
What are the key properties of bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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)?
bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 1858.90 g/mol, XLogP of 21.71, 28 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-difluoro-4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine);bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);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 164981437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).