3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine

C166H332F6N18 — CID 160708263

About 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine

3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine (PubChem CID 160708263) has the molecular formula C166H332F6N18 and a molecular weight of 2694.60 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine.

Molecular Properties

• Compound Name: 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine
• PubChem CID: 160708263
• Molecular Formula: C166H332F6N18
• Molecular Weight: 2694.60 g/mol
• Exact Mass: 2692.64
• IUPAC Name: 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine
• SMILES: CC(C)N1C2CCC1CC2.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(F)CC1.CC(C)N1CCC(F)CC1.CC(C)N1CCC2CC21.CC(C)N1CCC2CCC21.CC(C)N1CCC2CCCC21.CC(C)N1CCC2CCCCC21.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC1CCN(C(C)C)CC1
• InChI: InChI=1S/2C11H21N.C10H19N.2C10H21N.C9H16F3N.2C9H18FN.2C9H17N.5C9H19N.C8H16FN.C8H15N.C8H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-6-9-4-3-5-10(9)11;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)11-6-4-5-9(3,10)7-11;1-7(2)10-6-5-8-3-4-9(8)10;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)10-5-3-8(9)4-6-10;1-6(2)9-4-3-7-5-8(7)9;1-8(2)9-6-4-3-5-7-9/h2*9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;2*8H,4-7H2,1-3H3;2*7-9H,3-6H2,1-2H3;5*8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3/t;;;;;8-;;;;;;4*9-;;;/m.....1.....1100.../s1
• InChIKey: RRNAICLWLOSYIQ-YOQNNWIOSA-N
• XLogP: 39.32
• TPSA: 58.32 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2694.60
LogP ≤ 5	39.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine?

The IUPAC name of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine (CID 160708263) is 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine.

What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine?

The canonical SMILES for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine is CC(C)N1C2CCC1CC2.CC(C)N1CC2CCCCC2C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(F)CC1.CC(C)N1CCC(F)CC1.CC(C)N1CCC2CC21.CC(C)N1CCC2CCC21.CC(C)N1CCC2CCCC21.CC(C)N1CCC2CCCCC21.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC(C)(F)C1.CC(C)N1CCCCC1.CC(C)N1CCC[C@@H](C(F)(F)F)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC(C)N1CCC[C@H](C)C1.CC1CCN(C(C)C)CC1.

What is the InChIKey of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine?

The InChIKey is RRNAICLWLOSYIQ-YOQNNWIOSA-N. The full InChI is InChI=1S/2C11H21N.C10H19N.2C10H21N.C9H16F3N.2C9H18FN.2C9H17N.5C9H19N.C8H16FN.C8H15N.C8H17N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-6-9-4-3-5-10(9)11;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)11-6-4-5-9(3,10)7-11;1-7(2)10-6-5-8-3-4-9(8)10;1-7(2)10-8-3-4-9(10)6-5-8;1-8(2)10-6-4-9(3)5-7-10;4*1-8(2)10-6-4-5-9(3)7-10;1-7(2)10-5-3-8(9)4-6-10;1-6(2)9-4-3-7-5-8(7)9;1-8(2)9-6-4-3-5-7-9/h2*9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*9H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3;2*8H,4-7H2,1-3H3;2*7-9H,3-6H2,1-2H3;5*8-9H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;8H,3-7H2,1-2H3/t;;;;;8-;;;;;;4*9-;;;/m.....1.....1100.../s1.

What are the key properties of 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine?

3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine has a molecular weight of 2694.60 g/mol, XLogP of 39.32, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;4-fluoro-1-propan-2-ylpiperidine;bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis((3R)-3-methyl-1-propan-2-ylpiperidine);4-methyl-1-propan-2-ylpiperidine;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-propan-2-yl-2-azabicyclo[3.2.0]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;1-propan-2-ylpiperidine;(3R)-1-propan-2-yl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 160708263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).