bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)

C180H420N28 — CID 158424033

IUPACbis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1.CC[C@@H]1CN(C(C)C)CCN1C(C)C.CC[C@@H]1CN(C(C)C)CCN1C(C)C.CC[C@H]1CN(C(C)C)CCN1C(C)C.CC[C@H]1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/10C12H26N2.4C11H24N2.16CH4/c6*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;4*1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;4*1-9(2)12-6-7-13(10(3)4)11(5)8-12;;;;;;;;;;;;;;;;/h6*9-12H,7-8H2,1-6H3;4*10-12H,6-9H2,1-5H3;4*9-11H,6-8H2,1-5H3;16*1H4/t2*11-,12+;4*11-,12-;4*12-;4*11-;;;;;;;;;;;;;;;;/m..110011001100................/s1
InChIKeyHAVHIGOPZBLNTI-BQFMDUABSA-N
MW2977.54 g/mol
LogP39.40
Rot. Bonds32

About bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)

bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) (PubChem CID 158424033) has the molecular formula C180H420N28 and a molecular weight of 2977.54 g/mol. Its IUPAC name is bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine).

Molecular Properties

Compound Namebis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)
PubChem CID158424033
Molecular FormulaC180H420N28
Molecular Weight2977.54 g/mol
Exact Mass2975.37
IUPAC Namebis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1.CC[C@@H]1CN(C(C)C)CCN1C(C)C.CC[C@@H]1CN(C(C)C)CCN1C(C)C.CC[C@H]1CN(C(C)C)CCN1C(C)C.CC[C@H]1CN(C(C)C)CCN1C(C)C
InChIInChI=1S/10C12H26N2.4C11H24N2.16CH4/c6*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;4*1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;4*1-9(2)12-6-7-13(10(3)4)11(5)8-12;;;;;;;;;;;;;;;;/h6*9-12H,7-8H2,1-6H3;4*10-12H,6-9H2,1-5H3;4*9-11H,6-8H2,1-5H3;16*1H4/t2*11-,12+;4*11-,12-;4*12-;4*11-;;;;;;;;;;;;;;;;/m..110011001100................/s1
InChIKeyHAVHIGOPZBLNTI-BQFMDUABSA-N
XLogP39.40
TPSA90.72 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002977.54
LogP ≤ 539.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) with MolForge

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Related Compounds

1,4-Bis[2-[4-(1-piperidyl)-1-piperidyl]ethyl]piperazine
CID 455465
1,1'-(Butane-1,4-diyl)bis[4-aza-1-azoniabicyclo[2.2.2]octane] Dibromide
CID 14574586
1,4-Di(propan-2-yl)piperazine;bis(1-ethyl-4-propan-2-ylpiperazine);1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-yl-4-propylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 158118360
1,1'-(Butane-1,4-diyl)-bis-(1,4-diazabicyclo[2.2.2]octane-1-ium)chloride
CID 169448099
1-Ethyl-4-[5-(4-ethyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 118732350
1-Propyl-4-[5-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)pentyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 118732352
1-[5-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-4-aza-1-azoniabicyclo[2.2.2]octane
CID 432527
1-[4-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-4-aza-1-azoniabicyclo[2.2.2]octane
CID 14574587
1-Methyl-4-[3-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)propyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 21364636
1-Methyl-4-[4-(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)butyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 21364637
1-[3-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)propyl]-4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octane
CID 21364709
1-[5-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octane
CID 21364713

Frequently Asked Questions

What is the IUPAC name of bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?
The IUPAC name of bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) (CID 158424033) is bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine).
What is the SMILES notation for bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?
The canonical SMILES for bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1.CC[C@@H]1CN(C(C)C)CCN1C(C)C.CC[C@@H]1CN(C(C)C)CCN1C(C)C.CC[C@H]1CN(C(C)C)CCN1C(C)C.CC[C@H]1CN(C(C)C)CCN1C(C)C.
What is the InChIKey of bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?
The InChIKey is HAVHIGOPZBLNTI-BQFMDUABSA-N. The full InChI is InChI=1S/10C12H26N2.4C11H24N2.16CH4/c6*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;4*1-6-12-9-13(10(2)3)7-8-14(12)11(4)5;4*1-9(2)12-6-7-13(10(3)4)11(5)8-12;;;;;;;;;;;;;;;;/h6*9-12H,7-8H2,1-6H3;4*10-12H,6-9H2,1-5H3;4*9-11H,6-8H2,1-5H3;16*1H4/t2*11-,12+;4*11-,12-;4*12-;4*11-;;;;;;;;;;;;;;;;/m..110011001100................/s1.
What are the key properties of bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine)?
bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) has a molecular weight of 2977.54 g/mol, XLogP of 39.40, 32 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);bis((2S)-2-ethyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-ethyl-1,4-di(propan-2-yl)piperazine);methane;bis((2S)-2-methyl-1,4-di(propan-2-yl)piperazine);bis((2R)-2-methyl-1,4-di(propan-2-yl)piperazine) is sourced from PubChem (CID 158424033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).