1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane

C88H187N7O4 — CID 161139246

About 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane (PubChem CID 161139246) has the molecular formula C88H187N7O4 and a molecular weight of 1407.51 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane
• PubChem CID: 161139246
• Molecular Formula: C88H187N7O4
• Molecular Weight: 1407.51 g/mol
• Exact Mass: 1406.46
• IUPAC Name: 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane
• SMILES: C1CCCCC1.C1CCOCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)N1CCCCC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1.CN1CCOCC1
• InChI: InChI=1S/C10H21N.C9H20N2.3C9H19N.2C8H16O.C6H12.C5H11NO.C5H10O.2C5H12/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-2-4-6-5-3-1;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;2*1-5(2,3)4/h9H,5-8H2,1-4H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4-8H2,1-3H3;2*7H,4-6H2,1-3H3;1-6H2;2-5H2,1H3;1-5H2;2*1-4H3
• InChIKey: UNFCLBBVZNANII-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 59.60 Ų
• H-Bond Acceptors: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1407.51
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane?

The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane (CID 161139246) is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane.

What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane?

The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane is C1CCCCC1.C1CCOCC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)N1CCCCC1.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC1C(C)(C)C.CN1CCN(C(C)(C)C)CC1.CN1CCOCC1.

What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane?

The InChIKey is UNFCLBBVZNANII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.3C9H19N.2C8H16O.C6H12.C5H11NO.C5H10O.2C5H12/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-2-4-6-5-3-1;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;2*1-5(2,3)4/h9H,5-8H2,1-4H3;5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4-8H2,1-3H3;2*7H,4-6H2,1-3H3;1-6H2;2-5H2,1H3;1-5H2;2*1-4H3.

What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane?

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane has a molecular weight of 1407.51 g/mol, XLogP of 21.65, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;cyclohexane;bis(2,2-dimethylpropane);4-methylmorpholine;oxane is sourced from PubChem (CID 161139246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).