(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)

C46H102N10 — CID 158333106

About (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)

(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine) (PubChem CID 158333106) has the molecular formula C46H102N10 and a molecular weight of 795.39 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine).

Molecular Properties

• Compound Name: (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)
• PubChem CID: 158333106
• Molecular Formula: C46H102N10
• Molecular Weight: 795.39 g/mol
• Exact Mass: 794.83
• IUPAC Name: (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)
• SMILES: CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CC[C@@H](N(C)C)C1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1
• InChI: InChI=1S/2C10H22N2.2C9H20N2.C8H18N2/c2*1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h2*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t2*9-,10+;2*9-;/m..10./s1
• InChIKey: GQGCDWPZXWINJL-GGKLYZOKSA-N
• XLogP: 5.54
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.39
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)?

The IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine) (CID 158333106) is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine).

What is the SMILES notation for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)?

The canonical SMILES for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine) is CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CC[C@@H](N(C)C)C1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C)[C@@H](C)C1.

What is the InChIKey of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)?

The InChIKey is GQGCDWPZXWINJL-GGKLYZOKSA-N. The full InChI is InChI=1S/2C10H22N2.2C9H20N2.C8H18N2/c2*1-8(2)12-6-9(3)11(5)10(4)7-12;1-8(2)11-6-5-9(7-11)10(3)4;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)10-6-4-9(3)5-7-10/h2*8-10H,6-7H2,1-5H3;2*8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3/t2*9-,10+;2*9-;/m..10./s1.

What are the key properties of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)?

(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine) has a molecular weight of 795.39 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine) is sourced from PubChem (CID 158333106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).