1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine

C66H141N19O — CID 167642102

IUPAC1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine
SMILESCC1CNCCN1C.CC1NCCN(C)C1C.CCC1CCN(C)C1.CN1C2CNCC1C2.CN1CC2CCC(C1)N2.CN1CC2CCCC(C1)N2.CN1CC2CNCC2C1.CN1CC2COCC(C1)N2.CN1CCCNCC1.CN1CCNCC1
InChIInChI=1S/C8H16N2.C7H14N2O.2C7H14N2.C7H16N2.C7H15N.C6H12N2.2C6H14N2.C5H12N2/c1-10-5-7-3-2-4-8(6-10)9-7;1-9-2-6-4-10-5-7(3-9)8-6;1-9-4-6-2-8-3-7(6)5-9;1-9-4-6-2-3-7(5-9)8-6;1-6-7(2)9(3)5-4-8-6;1-3-7-4-5-8(2)6-7;1-8-5-2-6(8)4-7-3-5;1-6-5-7-3-4-8(6)2;1-8-5-2-3-7-4-6-8;1-7-4-2-6-3-5-7/h7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;2*6-8H,2-5H2,1H3;6-8H,4-5H2,1-3H3;7H,3-6H2,1-2H3;5-7H,2-4H2,1H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyPHSCMIJRFIXSSI-UHFFFAOYSA-N
MW1216.99 g/mol
LogP0.20
Rot. Bonds1

About 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine

1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine (PubChem CID 167642102) has the molecular formula C66H141N19O and a molecular weight of 1216.99 g/mol. Its IUPAC name is 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine.

Molecular Properties

Compound Name1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine
PubChem CID167642102
Molecular FormulaC66H141N19O
Molecular Weight1216.99 g/mol
Exact Mass1216.16
IUPAC Name1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine
SMILESCC1CNCCN1C.CC1NCCN(C)C1C.CCC1CCN(C)C1.CN1C2CNCC1C2.CN1CC2CCC(C1)N2.CN1CC2CCCC(C1)N2.CN1CC2CNCC2C1.CN1CC2COCC(C1)N2.CN1CCCNCC1.CN1CCNCC1
InChIInChI=1S/C8H16N2.C7H14N2O.2C7H14N2.C7H16N2.C7H15N.C6H12N2.2C6H14N2.C5H12N2/c1-10-5-7-3-2-4-8(6-10)9-7;1-9-2-6-4-10-5-7(3-9)8-6;1-9-4-6-2-8-3-7(6)5-9;1-9-4-6-2-3-7(5-9)8-6;1-6-7(2)9(3)5-4-8-6;1-3-7-4-5-8(2)6-7;1-8-5-2-6(8)4-7-3-5;1-6-5-7-3-4-8(6)2;1-8-5-2-3-7-4-6-8;1-7-4-2-6-3-5-7/h7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;2*6-8H,2-5H2,1H3;6-8H,4-5H2,1-3H3;7H,3-6H2,1-2H3;5-7H,2-4H2,1H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyPHSCMIJRFIXSSI-UHFFFAOYSA-N
XLogP0.20
TPSA149.90 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds1
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.99
LogP ≤ 50.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine?
The IUPAC name of 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine (CID 167642102) is 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine.
What is the SMILES notation for 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine?
The canonical SMILES for 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine is CC1CNCCN1C.CC1NCCN(C)C1C.CCC1CCN(C)C1.CN1C2CNCC1C2.CN1CC2CCC(C1)N2.CN1CC2CCCC(C1)N2.CN1CC2CNCC2C1.CN1CC2COCC(C1)N2.CN1CCCNCC1.CN1CCNCC1.
What is the InChIKey of 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine?
The InChIKey is PHSCMIJRFIXSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C7H14N2O.2C7H14N2.C7H16N2.C7H15N.C6H12N2.2C6H14N2.C5H12N2/c1-10-5-7-3-2-4-8(6-10)9-7;1-9-2-6-4-10-5-7(3-9)8-6;1-9-4-6-2-8-3-7(6)5-9;1-9-4-6-2-3-7(5-9)8-6;1-6-7(2)9(3)5-4-8-6;1-3-7-4-5-8(2)6-7;1-8-5-2-6(8)4-7-3-5;1-6-5-7-3-4-8(6)2;1-8-5-2-3-7-4-6-8;1-7-4-2-6-3-5-7/h7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;2*6-8H,2-5H2,1H3;6-8H,4-5H2,1-3H3;7H,3-6H2,1-2H3;5-7H,2-4H2,1H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine?
1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine has a molecular weight of 1216.99 g/mol, XLogP of 0.20, 1 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine is sourced from PubChem (CID 167642102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).