1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane

C60H127F6N7O6 — CID 161041483

IUPAC1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane
SMILESC.C.C.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)CNC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1
InChIInChI=1S/C21H42F2N2O3.C18H37F2N3O.C18H36F2N2O2.3CH4/c1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-16(2)23-11-9-22(10-12-23)8-6-7-13-24-15-18(19,20)14-21-17(3,4)5;1-16(2)22-11-9-21(10-12-22)8-6-7-13-23-14-18(19,20)15-24-17(3,4)5;;;/h7-18H2,1-6H3;16,21H,6-15H2,1-5H3;16H,6-15H2,1-5H3;3*1H4
InChIKeyUAYCHFDYCAZHIL-UHFFFAOYSA-N
MW1156.71 g/mol
LogP11.67
Rot. Bonds32

About 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane

1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane (PubChem CID 161041483) has the molecular formula C60H127F6N7O6 and a molecular weight of 1156.71 g/mol. Its IUPAC name is 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane.

Molecular Properties

Compound Name1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane
PubChem CID161041483
Molecular FormulaC60H127F6N7O6
Molecular Weight1156.71 g/mol
Exact Mass1155.98
IUPAC Name1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane
SMILESC.C.C.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)CNC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1
InChIInChI=1S/C21H42F2N2O3.C18H37F2N3O.C18H36F2N2O2.3CH4/c1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-16(2)23-11-9-22(10-12-23)8-6-7-13-24-15-18(19,20)14-21-17(3,4)5;1-16(2)22-11-9-21(10-12-22)8-6-7-13-23-14-18(19,20)15-24-17(3,4)5;;;/h7-18H2,1-6H3;16,21H,6-15H2,1-5H3;16H,6-15H2,1-5H3;3*1H4
InChIKeyUAYCHFDYCAZHIL-UHFFFAOYSA-N
XLogP11.67
TPSA86.85 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001156.71
LogP ≤ 511.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane with MolForge

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Related Compounds

N-ethyl-2,2-difluoro-3-[4-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butoxy]propan-1-amine
CID 155215147
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine;ethane
CID 142364811
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol
CID 142386101
2-[4-[4-[2,2-difluoro-3-(methylamino)propoxy]butyl]piperazin-1-yl]ethanol;ethane
CID 142386100
2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 169019370
2-tert-butyl-5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[5-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-pyridinyl]piperazine;N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[6-(4-tert-butylpiperazin-1-yl)-3-pyridinyl]oxy]-2,2-difluoropropyl]-2-methylpropan-2-amine;2-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane;N-[2,2-difluoro-3-[[6-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
CID 157050435
2-[4-(2-butoxyethyl)piperazin-1-yl]propanoic acid
CID 62311492
2-[4-[4-(2,2-difluoro-3-methoxypropoxy)butyl]piperazin-1-yl]ethanol
CID 142367353
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
2-iodo-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine
CID 146332058
N-tert-butyl-3,3-dimethylbutanamide;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);bis(N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine);1-tert-butyl-4-propan-2-ylpiperazine;1,4-ditert-butylpiperazine;ethane;methane;2,2,5,5-tetramethylhexan-3-one
CID 167652787

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane?
The IUPAC name of 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane (CID 161041483) is 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane.
What is the SMILES notation for 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane?
The canonical SMILES for 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane is C.C.C.CC(C)(C)OCCN1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)CNC(C)(C)C)CC1.CC(C)N1CCN(CCCCOCC(F)(F)COC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane?
The InChIKey is UAYCHFDYCAZHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42F2N2O3.C18H37F2N3O.C18H36F2N2O2.3CH4/c1-19(2,3)27-16-14-25-12-10-24(11-13-25)9-7-8-15-26-17-21(22,23)18-28-20(4,5)6;1-16(2)23-11-9-22(10-12-23)8-6-7-13-24-15-18(19,20)14-21-17(3,4)5;1-16(2)22-11-9-21(10-12-22)8-6-7-13-23-14-18(19,20)15-24-17(3,4)5;;;/h7-18H2,1-6H3;16,21H,6-15H2,1-5H3;16H,6-15H2,1-5H3;3*1H4.
What are the key properties of 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane?
1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane has a molecular weight of 1156.71 g/mol, XLogP of 11.67, 32 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane is sourced from PubChem (CID 161041483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).