(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)

C72H156N12 — CID 157406722

IUPAC(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)
SMILESCC(C)N1CCN(C(C)C)[C@@H](C)[C@@H]1C.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.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
InChIInChI=1S/6C12H26N2/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)13-7-8-14(10(3)4)12(6)11(13)5/h6*9-12H,7-8H2,1-6H3/t2*11-,12+;2*11-,12-;11-,12+;11-,12-/m..10.0/s1
InChIKeyBNUMNVIEVZGZBS-SWIRGNMOSA-N
MW1190.12 g/mol
LogP13.19
Rot. Bonds12

About (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)

(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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) (PubChem CID 157406722) has the molecular formula C72H156N12 and a molecular weight of 1190.12 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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).

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)
PubChem CID157406722
Molecular FormulaC72H156N12
Molecular Weight1190.12 g/mol
Exact Mass1189.26
IUPAC Name(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)
SMILESCC(C)N1CCN(C(C)C)[C@@H](C)[C@@H]1C.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.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
InChIInChI=1S/6C12H26N2/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)13-7-8-14(10(3)4)12(6)11(13)5/h6*9-12H,7-8H2,1-6H3/t2*11-,12+;2*11-,12-;11-,12+;11-,12-/m..10.0/s1
InChIKeyBNUMNVIEVZGZBS-SWIRGNMOSA-N
XLogP13.19
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.12
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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) with MolForge

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Related Compounds

1,4-Bis[2-[4-(1-piperidyl)-1-piperidyl]ethyl]piperazine
CID 455465
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-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-[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-Methyl-4-[(4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 21364638
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
1,4-Diazabicyclo[2.2.2]octane;2-pentyl-1,4-diazabicyclo[2.2.2]octane
CID 66810183
1-[4-(2,5-Dimethyl-4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-2,5-dimethyl-4-aza-1-azoniabicyclo[2.2.2]octane
CID 70258816

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)?
The IUPAC name of (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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) (CID 157406722) is (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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).
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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) is CC(C)N1CCN(C(C)C)[C@@H](C)[C@@H]1C.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.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.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)?
The InChIKey is BNUMNVIEVZGZBS-SWIRGNMOSA-N. The full InChI is InChI=1S/6C12H26N2/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)13-7-8-14(10(3)4)12(6)11(13)5/h6*9-12H,7-8H2,1-6H3/t2*11-,12+;2*11-,12-;11-,12+;11-,12-/m..10.0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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)?
(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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) has a molecular weight of 1190.12 g/mol, XLogP of 13.19, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(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) is sourced from PubChem (CID 157406722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).