2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane

C40H72F4N6 — CID 154672111

IUPAC2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CN(C(C)CCC(C)CN4CCC(CN5CCC6(CC5)CN(C(C)C)C6)C(F)(F)C4)C3)C(F)(F)C2)CC1
InChIInChI=1S/C40H72F4N6/c1-31(2)21-45-15-9-35(10-16-45)23-48-20-14-38(40(43,44)30-48)27-50(28-38)34(6)8-7-33(5)22-47-17-11-36(39(41,42)29-47)24-46-18-12-37(13-19-46)25-49(26-37)32(3)4/h31-36H,7-30H2,1-6H3
InChIKeyVNYCZXNNSHAIIS-UHFFFAOYSA-N
MW713.05 g/mol
LogP6.57
Rot. Bonds13

About 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane

2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 154672111) has the molecular formula C40H72F4N6 and a molecular weight of 713.05 g/mol. Its IUPAC name is 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID154672111
Molecular FormulaC40H72F4N6
Molecular Weight713.05 g/mol
Exact Mass712.58
IUPAC Name2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)CN1CCC(CN2CCC3(CN(C(C)CCC(C)CN4CCC(CN5CCC6(CC5)CN(C(C)C)C6)C(F)(F)C4)C3)C(F)(F)C2)CC1
InChIInChI=1S/C40H72F4N6/c1-31(2)21-45-15-9-35(10-16-45)23-48-20-14-38(40(43,44)30-48)27-50(28-38)34(6)8-7-33(5)22-47-17-11-36(39(41,42)29-47)24-46-18-12-37(13-19-46)25-49(26-37)32(3)4/h31-36H,7-30H2,1-6H3
InChIKeyVNYCZXNNSHAIIS-UHFFFAOYSA-N
XLogP6.57
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.05
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane with MolForge

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Related Compounds

5,5-Difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine
CID 145329471
2-Butan-2-yl-7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;2-ethyl-7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 154670882
7-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-methyl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 154671595
2-Butan-2-yl-7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;2-ethyl-7-[(1-ethylpiperidin-4-yl)methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 154671628
Tris(2,2-difluoro-1,4-di(propan-2-yl)piperidine);3,3-difluoro-1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)azetidin-3-amine;1,2-di(propan-2-yl)azetidine;bis(1,3-di(propan-2-yl)azetidine);bis(3-fluoro-1,3-di(propan-2-yl)azetidine);3-methyl-1,3-di(propan-2-yl)azetidine
CID 164958649
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine)
CID 164982093
Bis(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);4-[3-fluoro-3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine;1-[2-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 164989090
Bis(3,3-difluoro-4-[3-(2-methylpropyl)azetidin-1-yl]-1-propan-2-ylpiperidine);tris(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);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine
CID 165044151
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)azetidin-3-amine;1,2-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)azetidine;bis(3-fluoro-1,3-di(propan-2-yl)azetidine);3-methyl-1,3-di(propan-2-yl)azetidine
CID 165069381
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,3-di(propan-2-yl)azetidin-3-amine;1,2-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)azetidine;3-methyl-1,3-di(propan-2-yl)azetidine
CID 165095654
7-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;5,5-difluoro-2-propan-2-yl-7-[(1-propylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 166466680
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane (CID 154672111) is 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane is CC(C)CN1CCC(CN2CCC3(CN(C(C)CCC(C)CN4CCC(CN5CCC6(CC5)CN(C(C)C)C6)C(F)(F)C4)C3)C(F)(F)C2)CC1.
What is the InChIKey of 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is VNYCZXNNSHAIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H72F4N6/c1-31(2)21-45-15-9-35(10-16-45)23-48-20-14-38(40(43,44)30-48)27-50(28-38)34(6)8-7-33(5)22-47-17-11-36(39(41,42)29-47)24-46-18-12-37(13-19-46)25-49(26-37)32(3)4/h31-36H,7-30H2,1-6H3.
What are the key properties of 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane?
2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 713.05 g/mol, XLogP of 6.57, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3,3-difluoro-4-[(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidin-1-yl]-5-methylhexan-2-yl]-5,5-difluoro-7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154672111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).