2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

C63H135N11O2 — CID 158121207

About 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine

2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (PubChem CID 158121207) has the molecular formula C63H135N11O2 and a molecular weight of 1078.85 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
• PubChem CID: 158121207
• Molecular Formula: C63H135N11O2
• Molecular Weight: 1078.85 g/mol
• Exact Mass: 1078.08
• IUPAC Name: 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
• SMILES: CC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1
• InChI: InChI=1S/C9H19N.C8H16N2O.C8H18N2.C8H17NO.2C8H17N.C7H16N2.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-7(2)8(11)10-5-3-9-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-8-3-5-9-6-4-8;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-8(3)5-7/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3
• InChIKey: FRPWPLVHFDHMLE-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 97.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1078.85
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?

The IUPAC name of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine (CID 158121207) is 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine.

What is the SMILES notation for 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?

The canonical SMILES for 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is CC(C)C(=O)N1CCNCC1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)C1CCNCC1.CC(C)C1CN(C)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCNCC1.CC(C)OC1CCNCC1.

What is the InChIKey of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?

The InChIKey is FRPWPLVHFDHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H16N2O.C8H18N2.C8H17NO.2C8H17N.C7H16N2.C7H15N/c1-8(2)9-4-6-10(3)7-5-9;1-7(2)8(11)10-5-3-9-4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-8-3-5-9-6-4-8;1-7(2)8-4-5-9(3)6-8;1-7(2)8-3-5-9-6-4-8;1-7(2)9-5-3-8-4-6-9;1-6(2)7-4-8(3)5-7/h8-9H,4-7H2,1-3H3;7,9H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,4-6H2,1-3H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3.

What are the key properties of 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine?

2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine has a molecular weight of 1078.85 g/mol, XLogP of 8.60, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-piperazin-1-ylpropan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine;4-propan-2-yloxypiperidine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine is sourced from PubChem (CID 158121207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).