(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one

C49H103N9O2 — CID 159002186

About (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one

(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one (PubChem CID 159002186) has the molecular formula C49H103N9O2 and a molecular weight of 850.42 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one.

Molecular Properties

• Compound Name: (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
• PubChem CID: 159002186
• Molecular Formula: C49H103N9O2
• Molecular Weight: 850.42 g/mol
• Exact Mass: 849.82
• IUPAC Name: (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
• SMILES: CC(C)N1CC(=O)N(C)CC1(C)C.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCN(C)C(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCN(C)[C@@H](C)C1
• InChI: InChI=1S/2C10H20N2O.C10H22N2.C10H21N.C9H20N2/c1-8(2)12-6-9(13)11(5)7-10(12,3)4;1-8(2)12-7-6-11(5)9(13)10(12,3)4;1-9(2)12-7-6-11(5)8-10(12,3)4;1-9(2)11-7-5-6-10(3,4)8-11;1-8(2)11-6-5-10(4)9(3)7-11/h2*8H,6-7H2,1-5H3;9H,6-8H2,1-5H3;9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3/t;;;;9-/m....0/s1
• InChIKey: JRLXMDHXEKUBSR-OJQYEMAUSA-N
• XLogP: 6.86
• TPSA: 63.30 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.42
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?

The IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one (CID 159002186) is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one.

What is the SMILES notation for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?

The canonical SMILES for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one is CC(C)N1CC(=O)N(C)CC1(C)C.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCN(C)C(=O)C1(C)C.CC(C)N1CCN(C)CC1(C)C.CC(C)N1CCN(C)[C@@H](C)C1.

What is the InChIKey of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?

The InChIKey is JRLXMDHXEKUBSR-OJQYEMAUSA-N. The full InChI is InChI=1S/2C10H20N2O.C10H22N2.C10H21N.C9H20N2/c1-8(2)12-6-9(13)11(5)7-10(12,3)4;1-8(2)12-7-6-11(5)9(13)10(12,3)4;1-9(2)12-7-6-11(5)8-10(12,3)4;1-9(2)11-7-5-6-10(3,4)8-11;1-8(2)11-6-5-10(4)9(3)7-11/h2*8H,6-7H2,1-5H3;9H,6-8H2,1-5H3;9H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3/t;;;;9-/m....0/s1.

What are the key properties of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one?

(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one has a molecular weight of 850.42 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 159002186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).