1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol

C132H258F11N23O5 — CID 159086540

About 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 159086540) has the molecular formula C132H258F11N23O5 and a molecular weight of 2456.65 g/mol. Its IUPAC name is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

• Compound Name: 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol
• PubChem CID: 159086540
• Molecular Formula: C132H258F11N23O5
• Molecular Weight: 2456.65 g/mol
• Exact Mass: 2455.05
• IUPAC Name: 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol
• SMILES: CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(O)(C(F)(F)F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCNC1=O.CC(C)(C)N1CCOCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C13H27N.2C11H18F2N4.C10H18F3NO.C10H21N.C9H17F2N.C9H20N2.C8H17NO.C8H15NO.2C8H17N.C7H13F2N.C7H14N2O.C7H13NO.C6H13N/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-8(2,3)14-6-4-9(15,5-7-14)10(11,12)13;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;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9;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)9-5-4-8-6(9)10;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7/h8-10H2,1-7H3;2*5-7H2,1-4H3;15H,4-7H2,1-3H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3,(H,8,10);4-5H2,1-3H3;4-5H2,1-3H3
• InChIKey: KBMWXTJFMREXTG-UHFFFAOYSA-N
• XLogP: 26.88
• TPSA: 205.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 2
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.65
LogP ≤ 5	26.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol?

The IUPAC name of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol (CID 159086540) is 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol.

What is the SMILES notation for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol?

The canonical SMILES for 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol is CC(C)(C)N1C(C)(C)CCCC1(C)C.CC(C)(C)N1CC(F)(F)C1.CC(C)(C)N1CC1.CC(C)(C)N1CCC(F)(F)CC1.CC(C)(C)N1CCC(O)(C(F)(F)F)CC1.CC(C)(C)N1CCC1=O.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCC1=O.CC(C)(C)N1CCNC1=O.CC(C)(C)N1CCOCC1.CC(F)(F)c1nc2n(n1)CCN(C(C)(C)C)C2.CC(F)(F)c1nnc2n1CCN(C(C)(C)C)C2.CC1CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)C1.CN1CCN(C(C)(C)C)CC1.

What is the InChIKey of 1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol?

The InChIKey is KBMWXTJFMREXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.2C11H18F2N4.C10H18F3NO.C10H21N.C9H17F2N.C9H20N2.C8H17NO.C8H15NO.2C8H17N.C7H13F2N.C7H14N2O.C7H13NO.C6H13N/c1-11(2,3)14-12(4,5)9-8-10-13(14,6)7;1-10(2,3)16-5-6-17-8(7-16)14-15-9(17)11(4,12)13;1-10(2,3)16-5-6-17-8(7-16)14-9(15-17)11(4,12)13;1-8(2,3)14-6-4-9(15,5-7-14)10(11,12)13;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;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)9-4-6-10-7-5-9;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)9-5-4-8-6(9)10;1-7(2,3)8-5-4-6(8)9;1-6(2,3)7-4-5-7/h8-10H2,1-7H3;2*5-7H2,1-4H3;15H,4-7H2,1-3H3;9H,5-8H2,1-4H3;4-7H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-6H2,1-3H3;7H,5-6H2,1-4H3;4-7H2,1-3H3;4-5H2,1-3H3;4-5H2,1-3H3,(H,8,10);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;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol?

1-tert-butylazetidin-2-one;1-tert-butylaziridine;1-tert-butyl-3,3-difluoroazetidine;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 2456.65 g/mol, XLogP of 26.88, 2 rotatable bonds, 2 hydrogen bond donors, and 24 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;7-tert-butyl-2-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-tert-butyl-3-(1,1-difluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-tert-butyl-4,4-difluoropiperidine;1-tert-butylimidazolidin-2-one;1-tert-butyl-3-methylazetidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butylmorpholine;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one;1-tert-butyl-2,2,6,6-tetramethylpiperidine;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 159086540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).