1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine

C201H404F6N30O9S — CID 160758127

About 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine (PubChem CID 160758127) has the molecular formula C201H404F6N30O9S and a molecular weight of 3531.70 g/mol. Its IUPAC name is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine.

Molecular Properties

• Compound Name: 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine
• PubChem CID: 160758127
• Molecular Formula: C201H404F6N30O9S
• Molecular Weight: 3531.70 g/mol
• Exact Mass: 3529.17
• IUPAC Name: 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine
• SMILES: CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC1(F)CCCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(C)N1C.CN1C(C)(C)CN(C(C)(C)C)CC1(C)C.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1=O
• InChI: InChI=1S/C13H28N2.C11H24N2.C10H20FN.C10H22N2.C10H21N.C9H17F2N.C9H18FN.2C9H18N2O.C9H17NO.3C9H19N.C8H16N2O.C8H17NO2S.2C8H15NO.C8H17N.C8H13N.C7H13F2N.C7H12N2.C7H13NO.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-9(2,3)12-7-5-6-10(4,11)8-12;1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-4-6-12(10,11)7-5-9;2*1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;5-8H2,1-4H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-7H2,1-4H3;2*5-7H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;2*4-6H2,1-3H3;7H,5-6H2,1-4H3;4-7H,1-3H3;4-5H2,1-3H3;4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3
• InChIKey: RXRUXDVFUOEZKP-UHFFFAOYSA-N
• XLogP: 39.22
• TPSA: 263.63 Ų
• H-Bond Acceptors: 31
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3531.70
LogP ≤ 5	39.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine?

The IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine (CID 160758127) is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine.

What is the SMILES notation for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine?

The canonical SMILES for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine is CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC1(F)CCCN(C(C)(C)C)C1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CC1CN(C(C)(C)C)CC(C)N1C.CN1C(C)(C)CN(C(C)(C)C)CC1(C)C.CN1CCCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)C1=O.CN1CCN(C(C)(C)C)CC1=O.

What is the InChIKey of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine?

The InChIKey is RXRUXDVFUOEZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.C11H24N2.C10H20FN.C10H22N2.C10H21N.C9H17F2N.C9H18FN.2C9H18N2O.C9H17NO.3C9H19N.C8H16N2O.C8H17NO2S.2C8H15NO.C8H17N.C8H13N.C7H13F2N.C7H12N2.C7H13NO.C6H13N/c1-11(2,3)15-9-12(4,5)14(8)13(6,7)10-15;1-9-7-13(11(3,4)5)8-10(2)12(9)6;1-9(2,3)12-7-5-6-10(4,11)8-12;1-10(2,3)12-7-5-6-11(4)8-9-12;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)12-6-4-9(10,11)5-7-12;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-6-5-10(4)8(12)7-11;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)10-7-5-4-6-8(10)11;1-8-5-6-10(7-8)9(2,3)4;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-5-9(4)7(10)11;1-8(2,3)9-4-6-12(10,11)7-5-9;2*1-8(2,3)9-6-4-5-7(9)10;1-7-5-9(6-7)8(2,3)4;1-8(2,3)9-6-4-5-7-9;1-6(2,3)10-4-7(8,9)5-10;1-7(2,3)9-6-4-5-8-9;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7/h9-10H2,1-8H3;9-10H,7-8H2,1-6H3;5-8H2,1-4H3;5-9H2,1-4H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-7H2,1-4H3;2*5-7H2,1-4H3;4-7H2,1-3H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;5-6H2,1-4H3;4-7H2,1-3H3;2*4-6H2,1-3H3;7H,5-6H2,1-4H3;4-7H,1-3H3;4-5H2,1-3H3;4-6H,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3.

What are the key properties of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine?

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine has a molecular weight of 3531.70 g/mol, XLogP of 39.22, 0 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-3-fluoro-3-methylpiperidine;1-tert-butyl-3-fluoro-3-methylpyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butyl-4-methylpiperazin-2-one;4-tert-butyl-1-methylpiperazin-2-one;1-tert-butyl-4-methylpiperidine;1-tert-butyl-3-methylpyrrolidine;4-tert-butyl-1,2,2,6,6-pentamethylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-2-one;1-tert-butylpyrazole;1-tert-butylpyrrole;bis(1-tert-butylpyrrolidin-2-one);4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butyl-1,2,6-trimethylpiperazine is sourced from PubChem (CID 160758127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).