1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine

C54H126N16 — CID 160693849

About 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine

1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine (PubChem CID 160693849) has the molecular formula C54H126N16 and a molecular weight of 999.71 g/mol. Its IUPAC name is 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine.

Molecular Properties

• Compound Name: 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine
• PubChem CID: 160693849
• Molecular Formula: C54H126N16
• Molecular Weight: 999.71 g/mol
• Exact Mass: 999.04
• IUPAC Name: 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine
• SMILES: C.C.CC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CCCC1CN2.CN1CCC(CN)CC1.CN1CCC(N)CC1.CN1CCCC(CN)C1.CN1CCCC(N)C1.CN1CCNCC1
• InChI: InChI=1S/C8H16N2.3C7H16N2.3C6H14N2.C5H12N2.2CH4/c1-10-6-7-3-2-4-8(10)5-9-7;1-6-4-9(3)5-7(2)8-6;1-9-4-2-7(6-8)3-5-9;1-9-4-2-3-7(5-8)6-9;1-6-5-8(2)4-3-7-6;1-8-4-2-6(7)3-5-8;1-8-4-2-3-6(7)5-8;1-7-4-2-6-3-5-7;;/h7-9H,2-6H2,1H3;6-8H,4-5H2,1-3H3;2*7H,2-6,8H2,1H3;6-7H,3-5H2,1-2H3;2*6H,2-5,7H2,1H3;6H,2-5H2,1H3;2*1H4
• InChIKey: RPTGXOSYOUQSTF-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 178.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 2
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.71
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine?

The IUPAC name of 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine (CID 160693849) is 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine.

What is the SMILES notation for 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine?

The canonical SMILES for 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine is C.C.CC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CCCC1CN2.CN1CCC(CN)CC1.CN1CCC(N)CC1.CN1CCCC(CN)C1.CN1CCCC(N)C1.CN1CCNCC1.

What is the InChIKey of 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine?

The InChIKey is RPTGXOSYOUQSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.3C7H16N2.3C6H14N2.C5H12N2.2CH4/c1-10-6-7-3-2-4-8(10)5-9-7;1-6-4-9(3)5-7(2)8-6;1-9-4-2-7(6-8)3-5-9;1-9-4-2-3-7(5-8)6-9;1-6-5-8(2)4-3-7-6;1-8-4-2-6(7)3-5-8;1-8-4-2-3-6(7)5-8;1-7-4-2-6-3-5-7;;/h7-9H,2-6H2,1H3;6-8H,4-5H2,1-3H3;2*7H,2-6,8H2,1H3;6-7H,3-5H2,1-2H3;2*6H,2-5,7H2,1H3;6H,2-5H2,1H3;2*1H4.

What are the key properties of 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine?

1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine has a molecular weight of 999.71 g/mol, XLogP of 2.10, 2 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpiperazine;methane;6-methyl-6,8-diazabicyclo[3.2.2]nonane;1-methylpiperazine;1-methylpiperidin-3-amine;1-methylpiperidin-4-amine;(1-methylpiperidin-3-yl)methanamine;(1-methylpiperidin-4-yl)methanamine;1,3,5-trimethylpiperazine is sourced from PubChem (CID 160693849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).