2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine

C41H96N14O2 — CID 159530717

About 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine

2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine (PubChem CID 159530717) has the molecular formula C41H96N14O2 and a molecular weight of 817.31 g/mol. Its IUPAC name is 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine.

Molecular Properties

• Compound Name: 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine
• PubChem CID: 159530717
• Molecular Formula: C41H96N14O2
• Molecular Weight: 817.31 g/mol
• Exact Mass: 816.78
• IUPAC Name: 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine
• SMILES: C1CNCCN1.C1COCCN1.CC1(C)CNCCN1.CC1CNCCO1.CCN1CCNCC1.CN1CCNCC1.C[C@@H]1CNC[C@H](C)N1.C[C@H]1CNCCN1
• InChI: InChI=1S/3C6H14N2.2C5H12N2.C5H11NO.C4H10N2.C4H9NO/c1-5-3-7-4-6(2)8-5;1-6(2)5-7-3-4-8-6;1-2-8-5-3-7-4-6-8;1-7-4-2-6-3-5-7;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;1-3-6-4-2-5-1/h5-8H,3-4H2,1-2H3;7-8H,3-5H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3;5-6H,1-4H2;5H,1-4H2/t5-,6+;;;;5-;;;/m....0.../s1
• InChIKey: MCYOXLFECGSFJP-ZHNBNSCBSA-N
• XLogP: -2.31
• TPSA: 169.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 1
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	817.31
LogP ≤ 5	-2.31
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?

The IUPAC name of 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine (CID 159530717) is 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine.

What is the SMILES notation for 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?

The canonical SMILES for 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine is C1CNCCN1.C1COCCN1.CC1(C)CNCCN1.CC1CNCCO1.CCN1CCNCC1.CN1CCNCC1.C[C@@H]1CNC[C@H](C)N1.C[C@H]1CNCCN1.

What is the InChIKey of 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?

The InChIKey is MCYOXLFECGSFJP-ZHNBNSCBSA-N. The full InChI is InChI=1S/3C6H14N2.2C5H12N2.C5H11NO.C4H10N2.C4H9NO/c1-5-3-7-4-6(2)8-5;1-6(2)5-7-3-4-8-6;1-2-8-5-3-7-4-6-8;1-7-4-2-6-3-5-7;2*1-5-4-6-2-3-7-5;1-2-6-4-3-5-1;1-3-6-4-2-5-1/h5-8H,3-4H2,1-2H3;7-8H,3-5H2,1-2H3;7H,2-6H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;5-6H,2-4H2,1H3;5-6H,1-4H2;5H,1-4H2/t5-,6+;;;;5-;;;/m....0.../s1.

What are the key properties of 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine?

2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine has a molecular weight of 817.31 g/mol, XLogP of -2.31, 1 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethylpiperazine;(2R,6S)-2,6-dimethylpiperazine;1-ethylpiperazine;2-methylmorpholine;1-methylpiperazine;(2S)-2-methylpiperazine;morpholine;piperazine is sourced from PubChem (CID 159530717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).