3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine

C43H96N12 — CID 158841329

IUPAC3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine
SMILESCC1CN(C)C(C)CN1C.CC1CN(C)CC(C)N1C.CC1CN(C)CCN1C.CN1CC2CC(C1)N2C.CN1CCCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C8H18N2.C7H14N2.2C7H16N2.C6H14N2/c1-7-5-10(4)8(2)6-9(7)3;1-7-5-9(3)6-8(2)10(7)4;1-8-4-6-3-7(5-8)9(6)2;1-7-6-8(2)4-5-9(7)3;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7/h2*7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;3-6H2,1-2H3
InChIKeyIYGXWTZSOJTTNZ-UHFFFAOYSA-N
MW781.32 g/mol
LogP1.66
Rot. Bonds

About 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine

3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine (PubChem CID 158841329) has the molecular formula C43H96N12 and a molecular weight of 781.32 g/mol. Its IUPAC name is 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine.

Molecular Properties

Compound Name3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine
PubChem CID158841329
Molecular FormulaC43H96N12
Molecular Weight781.32 g/mol
Exact Mass780.79
IUPAC Name3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine
SMILESCC1CN(C)C(C)CN1C.CC1CN(C)CC(C)N1C.CC1CN(C)CCN1C.CN1CC2CC(C1)N2C.CN1CCCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C8H18N2.C7H14N2.2C7H16N2.C6H14N2/c1-7-5-10(4)8(2)6-9(7)3;1-7-5-9(3)6-8(2)10(7)4;1-8-4-6-3-7(5-8)9(6)2;1-7-6-8(2)4-5-9(7)3;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7/h2*7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;3-6H2,1-2H3
InChIKeyIYGXWTZSOJTTNZ-UHFFFAOYSA-N
XLogP1.66
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine?
The IUPAC name of 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine (CID 158841329) is 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine.
What is the SMILES notation for 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine?
The canonical SMILES for 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine is CC1CN(C)C(C)CN1C.CC1CN(C)CC(C)N1C.CC1CN(C)CCN1C.CN1CC2CC(C1)N2C.CN1CCCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine?
The InChIKey is IYGXWTZSOJTTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N2.C7H14N2.2C7H16N2.C6H14N2/c1-7-5-10(4)8(2)6-9(7)3;1-7-5-9(3)6-8(2)10(7)4;1-8-4-6-3-7(5-8)9(6)2;1-7-6-8(2)4-5-9(7)3;1-8-4-3-5-9(2)7-6-8;1-7-3-5-8(2)6-4-7/h2*7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3;3-7H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine?
3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine has a molecular weight of 781.32 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane;1,4-dimethyl-1,4-diazepane;1,4-dimethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,4,6-tetramethylpiperazine;1,2,4-trimethylpiperazine is sourced from PubChem (CID 158841329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).