1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine

C86H172N8O — CID 159480090

About 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine

1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine (PubChem CID 159480090) has the molecular formula C86H172N8O and a molecular weight of 1334.38 g/mol. Its IUPAC name is 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine
• PubChem CID: 159480090
• Molecular Formula: C86H172N8O
• Molecular Weight: 1334.38 g/mol
• Exact Mass: 1333.37
• IUPAC Name: 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine
• SMILES: CC(C)N1CCCCC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCCCC1C.CC(C)N1CCCC[C@H]1C.CC(C)N1CCCC[C@H]1C.CC(C)N1CC[C@@H](C2CC2)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC1CCCC(C)N1C(C)(C)C.Cc1cccc(C)c1C(C)C
• InChI: InChI=1S/C11H23N.C11H16.C10H19N.C10H21N.C9H19NO.3C9H19N.C8H17N/c1-9-7-6-8-10(2)12(9)11(3,4)5;1-8(2)11-9(3)6-5-7-10(11)4;1-8(2)11-6-5-10(7-11)9-3-4-9;1-9(2)11-8-6-5-7-10(11,3)4;1-7(2)10-5-8(3)11-9(4)6-10;3*1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h9-10H,6-8H2,1-5H3;5-8H,1-4H3;8-10H,3-7H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;3*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3/t;;10-;;8-,9+;2*9-;;/m..1..11../s1
• InChIKey: LWWXMIKUEOUESI-SQVVIKRUSA-N
• XLogP: 21.45
• TPSA: 35.15 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1334.38
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?

The IUPAC name of 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine (CID 159480090) is 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine.

What is the SMILES notation for 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?

The canonical SMILES for 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine is CC(C)N1CCCCC1.CC(C)N1CCCCC1(C)C.CC(C)N1CCCCC1C.CC(C)N1CCCC[C@H]1C.CC(C)N1CCCC[C@H]1C.CC(C)N1CC[C@@H](C2CC2)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CC1CCCC(C)N1C(C)(C)C.Cc1cccc(C)c1C(C)C.

What is the InChIKey of 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?

The InChIKey is LWWXMIKUEOUESI-SQVVIKRUSA-N. The full InChI is InChI=1S/C11H23N.C11H16.C10H19N.C10H21N.C9H19NO.3C9H19N.C8H17N/c1-9-7-6-8-10(2)12(9)11(3,4)5;1-8(2)11-9(3)6-5-7-10(11)4;1-8(2)11-6-5-10(7-11)9-3-4-9;1-9(2)11-8-6-5-7-10(11,3)4;1-7(2)10-5-8(3)11-9(4)6-10;3*1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9/h9-10H,6-8H2,1-5H3;5-8H,1-4H3;8-10H,3-7H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;3*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3/t;;10-;;8-,9+;2*9-;;/m..1..11../s1.

What are the key properties of 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine?

1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine has a molecular weight of 1334.38 g/mol, XLogP of 21.45, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2,6-dimethylpiperidine;(3S)-3-cyclopropyl-1-propan-2-ylpyrrolidine;1,3-dimethyl-2-propan-2-ylbenzene;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;2,2-dimethyl-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;bis((2R)-2-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine is sourced from PubChem (CID 159480090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).