1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine

C73H163N19O2 — CID 158000033

IUPAC1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine
SMILESCC1CN(C)C(C)CN1.CC1CN(C)CC(C)N1.CC1CN(C)CC(C)O1.CC1CN(C)CCN1.CN1C2CNCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/2C7H16N2.C7H15NO.C7H15N.C6H12N2.3C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N/c1-6-5-9(3)7(2)4-8-6;1-6-4-9(3)5-7(2)8-6;1-6-4-8(3)5-7(2)9-6;1-8-6-4-2-3-5-7-8;1-8-5-2-6(8)4-7-3-5;1-7-3-5-8(2)6-4-7;1-6-5-8(2)4-3-7-6;1-8-5-2-3-7-4-6-8;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2*6-8H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;2-7H2,1H3;5-7H,2-4H2,1H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyFDPRWAQJLFOIDZ-UHFFFAOYSA-N
MW1339.24 g/mol
LogP3.45
Rot. Bonds

About 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine

1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine (PubChem CID 158000033) has the molecular formula C73H163N19O2 and a molecular weight of 1339.24 g/mol. Its IUPAC name is 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine.

Molecular Properties

Compound Name1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine
PubChem CID158000033
Molecular FormulaC73H163N19O2
Molecular Weight1339.24 g/mol
Exact Mass1338.32
IUPAC Name1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine
SMILESCC1CN(C)C(C)CN1.CC1CN(C)CC(C)N1.CC1CN(C)CC(C)O1.CC1CN(C)CCN1.CN1C2CNCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/2C7H16N2.C7H15NO.C7H15N.C6H12N2.3C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N/c1-6-5-9(3)7(2)4-8-6;1-6-4-9(3)5-7(2)8-6;1-6-4-8(3)5-7(2)9-6;1-8-6-4-2-3-5-7-8;1-8-5-2-6(8)4-7-3-5;1-7-3-5-8(2)6-4-7;1-6-5-8(2)4-3-7-6;1-8-5-2-3-7-4-6-8;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2*6-8H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;2-7H2,1H3;5-7H,2-4H2,1H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeyFDPRWAQJLFOIDZ-UHFFFAOYSA-N
XLogP3.45
TPSA132.76 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001339.24
LogP ≤ 53.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine?
The IUPAC name of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine (CID 158000033) is 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine.
What is the SMILES notation for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine?
The canonical SMILES for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine is CC1CN(C)C(C)CN1.CC1CN(C)CC(C)N1.CC1CN(C)CC(C)O1.CC1CN(C)CCN1.CN1C2CNCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine?
The InChIKey is FDPRWAQJLFOIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.C7H15NO.C7H15N.C6H12N2.3C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N/c1-6-5-9(3)7(2)4-8-6;1-6-4-9(3)5-7(2)8-6;1-6-4-8(3)5-7(2)9-6;1-8-6-4-2-3-5-7-8;1-8-5-2-6(8)4-7-3-5;1-7-3-5-8(2)6-4-7;1-6-5-8(2)4-3-7-6;1-8-5-2-3-7-4-6-8;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2*6-8H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;2-7H2,1H3;5-7H,2-4H2,1H3;3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine?
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine has a molecular weight of 1339.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperazine;1,4-dimethylpiperazine;1-methylazepane;6-methyl-3,6-diazabicyclo[3.1.1]heptane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;2,4,6-trimethylmorpholine;1,2,5-trimethylpiperazine;1,3,5-trimethylpiperazine is sourced from PubChem (CID 158000033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).