2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)

C91H196N16 — CID 159395728

IUPAC2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
SMILESCC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/4C12H26N2.C11H22N2.2C11H24N2.C10H22N2/c2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4/h2*9-12H,7-8H2,1-6H3;10-11H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeyLMRNJRLNARSHMQ-UHFFFAOYSA-N
MW1514.68 g/mol
LogP15.39
Rot. Bonds16

About 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)

2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine) (PubChem CID 159395728) has the molecular formula C91H196N16 and a molecular weight of 1514.68 g/mol. Its IUPAC name is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine).

Molecular Properties

Compound Name2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
PubChem CID159395728
Molecular FormulaC91H196N16
Molecular Weight1514.68 g/mol
Exact Mass1513.58
IUPAC Name2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)
SMILESCC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1C.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/4C12H26N2.C11H22N2.2C11H24N2.C10H22N2/c2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4/h2*9-12H,7-8H2,1-6H3;10-11H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeyLMRNJRLNARSHMQ-UHFFFAOYSA-N
XLogP15.39
TPSA51.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.68
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine) with MolForge

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Related Compounds

1-Methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
CID 143456779
(2S,6R)-1-tert-butyl-2-[2-[(2R,6S)-1-tert-butyl-6-[2-[(2R,6R)-1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazin-2-yl]ethyl]-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazine
CID 146549768
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
2,2-dimethyl-1-propan-2-ylpiperazine;2,3-dimethyl-1-propan-2-ylpiperazine;(2S,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-1-propan-2-ylpiperazine;(3R)-3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine
CID 157528600
Tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158124161
1,4-diethylpiperazine;1-ethyl-N,N-dimethylpiperidin-3-amine;1-ethyl-N,N-dimethylpiperidin-4-amine;1-ethyl-N,N-dimethylpyrrolidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-4-amine;1-ethyl-N,N-di(propan-2-yl)pyrrolidin-3-amine;1-ethyl-N,N-dipropylpiperidin-3-amine;1-ethyl-N,N-dipropylpiperidin-4-amine;1-ethyl-N,N-dipropylpyrrolidin-3-amine;1-ethyl-4-methylpiperazine;1-ethyl-4-propan-2-ylpiperazine;N,N,1-triethylpiperidin-3-amine;N,N,1-triethylpiperidin-4-amine;N,N,1-triethylpyrrolidin-3-amine
CID 158143071
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane
CID 158178299
1-Ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
CID 158286556
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
CID 158499748
4-Tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
CID 158526159
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;methane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 159653810
8-Tert-butyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.2]octane
CID 159970504

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
The IUPAC name of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine) (CID 159395728) is 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine).
What is the SMILES notation for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
The canonical SMILES for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine) is CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC(C)N(C(C)C)C(C)C1.CC(C)N1CC2CC1CN2C(C)C.CC(C)N1CCN(C(C)C)C(C)(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1.CC(C)N1CCN(C(C)C)C(C)C1C.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
The InChIKey is LMRNJRLNARSHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H26N2.C11H22N2.2C11H24N2.C10H22N2/c2*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;1-10(2)13-7-8-14(11(3)4)12(5,6)9-13;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12;1-9(2)11-5-7-12(8-6-11)10(3)4/h2*9-12H,7-8H2,1-6H3;10-11H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine)?
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine) has a molecular weight of 1514.68 g/mol, XLogP of 15.39, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,4-di(propan-2-yl)piperazine;2,3-dimethyl-1,4-di(propan-2-yl)piperazine;bis(2,6-dimethyl-1,4-di(propan-2-yl)piperazine);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;1,4-di(propan-2-yl)piperazine;bis(2-methyl-1,4-di(propan-2-yl)piperazine) is sourced from PubChem (CID 159395728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).