(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine

C93H183F3N12O4 — CID 159280994

About (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine

(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine (PubChem CID 159280994) has the molecular formula C93H183F3N12O4 and a molecular weight of 1590.56 g/mol. Its IUPAC name is (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine.

Molecular Properties

• Compound Name: (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
• PubChem CID: 159280994
• Molecular Formula: C93H183F3N12O4
• Molecular Weight: 1590.56 g/mol
• Exact Mass: 1589.44
• IUPAC Name: (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
• SMILES: CC(C)N1C2CCC(OC2)[C@@H]1C.CC(C)N1C2CCC(OC2)[C@H]1C.CC(C)N1CC2CC2[C@@H]1C.CC(C)N1CC2CC2[C@H]1C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C(F)(F)F.CC(C)N1C[C@@H]2C[C@H]1CO2.CC(C)N1C[C@H]2C[C@@H]1CO2
• InChI: InChI=1S/2C10H19NO.C9H20N2.2C9H17N.2C8H15NO.2C8H17N.C7H12F3N.C7H15N/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)10-5-8-4-9(8)7(10)3;2*1-6(2)9-4-8-3-7(9)5-10-8;2*1-7(2)9-6-4-5-8(9)3;1-5(2)11-4-3-6(11)7(8,9)10;1-6(2)8-5-4-7(8)3/h2*7-10H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;2*6-9H,4-5H2,1-3H3;2*6-8H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3/t2*8-,9?,10?;9-;2*7-,8?,9?;2*7-,8-;2*8-;6-;7-/m10110101000/s1
• InChIKey: KYXLAQDVQPZXHK-XYDFSAGPSA-N
• XLogP: 16.81
• TPSA: 75.80 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.56
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?

The IUPAC name of (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine (CID 159280994) is (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine.

What is the SMILES notation for (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?

The canonical SMILES for (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine is CC(C)N1C2CCC(OC2)[C@@H]1C.CC(C)N1C2CCC(OC2)[C@H]1C.CC(C)N1CC2CC2[C@@H]1C.CC(C)N1CC2CC2[C@H]1C.CC(C)N1CCC[C@@H]1C.CC(C)N1CCC[C@H]1C.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CC[C@@H]1C.CC(C)N1CC[C@H]1C(F)(F)F.CC(C)N1C[C@@H]2C[C@H]1CO2.CC(C)N1C[C@H]2C[C@@H]1CO2.

What is the InChIKey of (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?

The InChIKey is KYXLAQDVQPZXHK-XYDFSAGPSA-N. The full InChI is InChI=1S/2C10H19NO.C9H20N2.2C9H17N.2C8H15NO.2C8H17N.C7H12F3N.C7H15N/c2*1-7(2)11-8(3)10-5-4-9(11)6-12-10;1-8(2)11-6-5-10(4)7-9(11)3;2*1-6(2)10-5-8-4-9(8)7(10)3;2*1-6(2)9-4-8-3-7(9)5-10-8;2*1-7(2)9-6-4-5-8(9)3;1-5(2)11-4-3-6(11)7(8,9)10;1-6(2)8-5-4-7(8)3/h2*7-10H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;2*6-9H,4-5H2,1-3H3;2*6-8H,3-5H2,1-2H3;2*7-8H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3/t2*8-,9?,10?;9-;2*7-,8?,9?;2*7-,8-;2*8-;6-;7-/m10110101000/s1.

What are the key properties of (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine?

(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine has a molecular weight of 1590.56 g/mol, XLogP of 16.81, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;(2S)-2-methyl-1-propan-2-ylazetidine;(6R)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(6S)-6-methyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane;(2S)-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-methyl-1-propan-2-ylpyrrolidine;(1R,4R)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine is sourced from PubChem (CID 159280994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).