(2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine

C80H174N14 — CID 157096926

About (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine

(2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine (PubChem CID 157096926) has the molecular formula C80H174N14 and a molecular weight of 1332.37 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine.

Molecular Properties

• Compound Name: (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine
• PubChem CID: 157096926
• Molecular Formula: C80H174N14
• Molecular Weight: 1332.37 g/mol
• Exact Mass: 1331.40
• IUPAC Name: (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine
• SMILES: C[C@@H]1CN(C)CCN1CC(C)(C)C.C[C@@H]1CN(C)C[C@H](C)N1CC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)CCN1C.C[C@@H]1CN(CC(C)(C)C)C[C@H](C)N1C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1C.C[C@H]1CN(C)CCN1CC(C)(C)C.C[C@H]1CN(CC(C)(C)C)CCN1C
• InChI: InChI=1S/3C12H26N2.4C11H24N2/c1-10-8-14(9-12(3,4)5)11(2)7-13(10)6;1-10-7-14(9-12(3,4)5)8-11(2)13(10)6;1-10-7-13(6)8-11(2)14(10)9-12(3,4)5;2*1-10-8-13(7-6-12(10)5)9-11(2,3)4;2*1-10-8-12(5)6-7-13(10)9-11(2,3)4/h3*10-11H,7-9H2,1-6H3;4*10H,6-9H2,1-5H3/t3*10-,11+;4*10-/m1..1010/s1
• InChIKey: AFHWHWVKTBBMRA-BMYONTDVSA-N
• XLogP: 12.84
• TPSA: 45.36 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1332.37
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine?

The IUPAC name of (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine (CID 157096926) is (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine.

What is the SMILES notation for (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine?

The canonical SMILES for (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine is C[C@@H]1CN(C)CCN1CC(C)(C)C.C[C@@H]1CN(C)C[C@H](C)N1CC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)CCN1C.C[C@@H]1CN(CC(C)(C)C)C[C@H](C)N1C.C[C@@H]1CN(CC(C)(C)C)[C@@H](C)CN1C.C[C@H]1CN(C)CCN1CC(C)(C)C.C[C@H]1CN(CC(C)(C)C)CCN1C.

What is the InChIKey of (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine?

The InChIKey is AFHWHWVKTBBMRA-BMYONTDVSA-N. The full InChI is InChI=1S/3C12H26N2.4C11H24N2/c1-10-8-14(9-12(3,4)5)11(2)7-13(10)6;1-10-7-14(9-12(3,4)5)8-11(2)13(10)6;1-10-7-13(6)8-11(2)14(10)9-12(3,4)5;2*1-10-8-13(7-6-12(10)5)9-11(2,3)4;2*1-10-8-12(5)6-7-13(10)9-11(2,3)4/h3*10-11H,7-9H2,1-6H3;4*10H,6-9H2,1-5H3/t3*10-,11+;4*10-/m1..1010/s1.

What are the key properties of (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine?

(2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine has a molecular weight of 1332.37 g/mol, XLogP of 12.84, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-1-(2,2-dimethylpropyl)-2,4-dimethylpiperazine;(2R)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S)-4-(2,2-dimethylpropyl)-1,2-dimethylpiperazine;(2S,5R)-1-(2,2-dimethylpropyl)-2,4,5-trimethylpiperazine;(2S,6R)-1-(2,2-dimethylpropyl)-2,4,6-trimethylpiperazine;(2S,6R)-4-(2,2-dimethylpropyl)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 157096926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).