2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine

C69H141N11 — CID 158562511

IUPAC2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine
SMILESCC(C)C1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CC(C1)N2C(C)C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H25N.C12H24N2.C12H26N2.2C11H22N2.C10H22N2/c1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-6-10-5-11(7-12)13(10)9(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,7-9H2,1-6H3;2*8-11H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyHRBGFXXNMLVYKL-UHFFFAOYSA-N
MW1124.96 g/mol
LogP11.99
Rot. Bonds12

About 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine

2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine (PubChem CID 158562511) has the molecular formula C69H141N11 and a molecular weight of 1124.96 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine
PubChem CID158562511
Molecular FormulaC69H141N11
Molecular Weight1124.96 g/mol
Exact Mass1124.14
IUPAC Name2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine
SMILESCC(C)C1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CC(C1)N2C(C)C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H25N.C12H24N2.C12H26N2.2C11H22N2.C10H22N2/c1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-6-10-5-11(7-12)13(10)9(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,7-9H2,1-6H3;2*8-11H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyHRBGFXXNMLVYKL-UHFFFAOYSA-N
XLogP11.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001124.96
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine with MolForge

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Related Compounds

8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 157253225
3,6-Di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 157671451
2,8-Dimethyl-8-azabicyclo[3.2.1]octane;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;3-methyl-1-azabicyclo[2.2.1]heptane;3-methyl-1-azabicyclo[2.2.2]octane;6-methyl-1-azabicyclo[3.2.1]octane
CID 158820059
1-Tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;4-tert-butyl-1-propan-2-ylpiperidine;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane;bis(1,3-ditert-butylpyrrolidine)
CID 158943851
8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;methane;(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane;3-methyl-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 160009181
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;bis((1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane);2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;(2S)-1,4-di(propan-2-yl)piperazine-2-carbonitrile;(3S)-1,3-di(propan-2-yl)pyrrolidine;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine
CID 160020381
1,4-Di(propan-2-yl)azepane;1,3-di(propan-2-yl)azetidine;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine
CID 160115786
1,6-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;1,5-dimethyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;1,4-dimethyl-1,4-diazepane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;N,N,1,3-tetramethylazetidin-3-amine;N,N,1,3-tetramethylpyrrolidin-3-amine;1,2,4-trimethylpiperazine
CID 160327994
2-Tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;3-tert-butyl-6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3-methyl-3,8-diazabicyclo[3.2.1]octane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;2-methyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-methyl-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 160380861
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;2,5-dimethyl-2,5-diazabicyclo[2.2.2]octane;bis(3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane);ethane;2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160729615
2,5-Di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane;2,6-di(propan-2-yl)-2,6-diazabicyclo[3.2.1]octane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.2.1]octane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 161736037
3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;bis(2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane);2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;1,4-di(propan-2-yl)-1,4-diazepane;1,4-di(propan-2-yl)piperidine;bis((2S)-2-methyl-1,4-di(propan-2-yl)-1,4-diazepane);bis((5S)-5-methyl-1,4-di(propan-2-yl)-1,4-diazepane);1-propan-2-yl-4-(1-propan-2-ylazetidin-3-yl)piperazine
CID 163502290

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine?
The IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine (CID 158562511) is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine?
The canonical SMILES for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine is CC(C)C1CC2CCC(C1)N2C(C)C.CC(C)N1CC2CC(C1)N2C(C)C.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CC2CCC(C1)N2C(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine?
The InChIKey is HRBGFXXNMLVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C12H24N2.C12H26N2.2C11H22N2.C10H22N2/c1-9(2)11-7-12-5-6-13(8-11)14(12)10(3)4;1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;1-8(2)12-6-10-5-11(7-12)13(10)9(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4/h9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;10-11H,7-9H2,1-6H3;2*8-11H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine?
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine has a molecular weight of 1124.96 g/mol, XLogP of 11.99, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;3,6-di(propan-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 158562511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).