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

C98H188F8N12 — CID 165024952

IUPACbis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
SMILESCC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/2C17H32F2N2.2C16H30F2N2.2C16H32N2/c2*1-13(2)11-15-5-8-20(9-6-15)16-7-10-21(14(3)4)12-17(16,18)19;2*1-12(2)9-14-10-20(11-16(14,17)18)15-5-7-19(8-6-15)13(3)4;2*1-13(2)11-15-5-8-18(12-15)16-6-9-17(10-7-16)14(3)4/h2*13-16H,5-12H2,1-4H3;2*12-15H,5-11H2,1-4H3;2*13-16H,5-12H2,1-4H3
InChIKeyLSRDDLFSHVBHJA-UHFFFAOYSA-N
MW1686.65 g/mol
LogP21.12
Rot. Bonds24

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

bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine) (PubChem CID 165024952) has the molecular formula C98H188F8N12 and a molecular weight of 1686.65 g/mol. Its IUPAC name is bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine).

Molecular Properties

Compound Namebis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
PubChem CID165024952
Molecular FormulaC98H188F8N12
Molecular Weight1686.65 g/mol
Exact Mass1685.50
IUPAC Namebis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
SMILESCC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/2C17H32F2N2.2C16H30F2N2.2C16H32N2/c2*1-13(2)11-15-5-8-20(9-6-15)16-7-10-21(14(3)4)12-17(16,18)19;2*1-12(2)9-14-10-20(11-16(14,17)18)15-5-7-19(8-6-15)13(3)4;2*1-13(2)11-15-5-8-18(12-15)16-6-9-17(10-7-16)14(3)4/h2*13-16H,5-12H2,1-4H3;2*12-15H,5-11H2,1-4H3;2*13-16H,5-12H2,1-4H3
InChIKeyLSRDDLFSHVBHJA-UHFFFAOYSA-N
XLogP21.12
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.65
LogP ≤ 521.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

1-Tert-butyl-4,4-difluoro-2,2-dimethylpyrrolidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-2,4-dimethylpyrrolidine;1-tert-butyl-4-fluoro-2,4-dimethylpyrrolidine;1-tert-butyl-3-fluoro-3-methylazetidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;bis(1-tert-butyl-2-methylpiperidine);bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-2-methylpyrrolidine;1-tert-butyl-3-methylpyrrolidine
CID 157767398
6,6-difluoro-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3,3-difluoro-1-propan-2-ylpyrrolidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(3R)-3-(fluoromethyl)-1-propan-2-ylpyrrolidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpyrrolidine);bis((3R)-3-methyl-1-propan-2-ylpyrrolidine);bis((3S)-3-methyl-1-propan-2-ylpyrrolidine);(2S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidine
CID 157835252
2,2-Difluoro-1-methylpiperidine;3,3-difluoro-1-methylpiperidine;4,4-difluoro-1-methylpiperidine;3,3-difluoro-1-methylpyrrolidine;2-fluoro-1-methylpiperidine;3-fluoro-1-methylpiperidine;4-fluoro-1-methylpiperidine;3,3,4,4,5,5-hexafluoro-1-methylpiperidine;1-methylpiperidine;1-methyl-3-(2,2,2-trifluoroethyl)pyrrolidine;1-methyl-3-(trifluoromethyl)pyrrolidine;3,3,4,4-tetrafluoro-1-methylpyrrolidine
CID 157868331
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3R,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile
CID 159322506
3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4S)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;(4R)-3,3-difluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;(3S,4R)-3-fluoro-1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;bis(3-(3-propan-2-ylpiperidin-1-yl)propanenitrile);3-[(3R)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(3-propan-2-ylpyrrolidin-1-yl)propanenitrile;3-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile;3-[(3R)-3-propan-2-ylpyrrolidin-1-yl]propanenitrile
CID 159853596
4-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-1-methylpiperidine;4-(3,3-difluoropyrrolidin-1-yl)-1-methylpiperidine;4-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1-methylpiperidine;4-[(3R)-3-fluoropyrrolidin-1-yl]-1-methylpiperidine;4-[(3S)-3-fluoropyrrolidin-1-yl]-1-methylpiperidine;3-(1-methylpiperidin-4-yl)-3-azabicyclo[3.1.0]hexane;1-methyl-4-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidine;1-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]piperidine
CID 160292066
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 164985381
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine;bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 165012816
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
CID 167579403
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 167581014
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine
CID 167602523
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 167609710

Frequently Asked Questions

What is the IUPAC name of bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)?
The IUPAC name of bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine) (CID 165024952) is bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine).
What is the SMILES notation for bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)?
The canonical SMILES for bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine) is CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CCN(C2CCN(C(C)C)CC2)C1.CC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F.CC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)?
The InChIKey is LSRDDLFSHVBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H32F2N2.2C16H30F2N2.2C16H32N2/c2*1-13(2)11-15-5-8-20(9-6-15)16-7-10-21(14(3)4)12-17(16,18)19;2*1-12(2)9-14-10-20(11-16(14,17)18)15-5-7-19(8-6-15)13(3)4;2*1-13(2)11-15-5-8-18(12-15)16-6-9-17(10-7-16)14(3)4/h2*13-16H,5-12H2,1-4H3;2*12-15H,5-11H2,1-4H3;2*13-16H,5-12H2,1-4H3.
What are the key properties of bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)?
bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine) has a molecular weight of 1686.65 g/mol, XLogP of 21.12, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine) is sourced from PubChem (CID 165024952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).