1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane

C98H212N8 — CID 159956624

About 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane

1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane (PubChem CID 159956624) has the molecular formula C98H212N8 and a molecular weight of 1502.83 g/mol. Its IUPAC name is 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane.

Molecular Properties

• Compound Name: 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane
• PubChem CID: 159956624
• Molecular Formula: C98H212N8
• Molecular Weight: 1502.83 g/mol
• Exact Mass: 1501.68
• IUPAC Name: 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane
• SMILES: CC.CC.CC.CC.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)CC1CCCCN1C(C)(C)C.CC1CCCCN1C(C)(C)C.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C
• InChI: InChI=1S/C14H29N.2C13H27N.C12H25N.2C10H21N.2C9H19N.4C2H6/c1-13(2,3)11-12-9-7-8-10-15(12)14(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;2*1-9-7-5-6-8-11(9)10(2,3)4;2*1-8-6-5-7-10(8)9(2,3)4;4*1-2/h12H,7-11H2,1-6H3;2*11H,7-10H2,1-6H3;10H,7-9H2,1-6H3;2*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4*1-2H3/t;;;;9-;;2*8-;;;;/m....0.10..../s1
• InChIKey: OCUJOLVSLGYOTH-VCTRNGEXSA-N
• XLogP: 28.56
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1502.83
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane?

The IUPAC name of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane (CID 159956624) is 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane.

What is the SMILES notation for 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane?

The canonical SMILES for 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane is CC.CC.CC.CC.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN1C(C)(C)C.CC(C)(C)CC1CCCCN1C(C)(C)C.CC1CCCCN1C(C)(C)C.C[C@@H]1CCCN1C(C)(C)C.C[C@H]1CCCCN1C(C)(C)C.C[C@H]1CCCN1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane?

The InChIKey is OCUJOLVSLGYOTH-VCTRNGEXSA-N. The full InChI is InChI=1S/C14H29N.2C13H27N.C12H25N.2C10H21N.2C9H19N.4C2H6/c1-13(2,3)11-12-9-7-8-10-15(12)14(4,5)6;1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-12(2,3)11-9-7-8-10-14(11)13(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;2*1-9-7-5-6-8-11(9)10(2,3)4;2*1-8-6-5-7-10(8)9(2,3)4;4*1-2/h12H,7-11H2,1-6H3;2*11H,7-10H2,1-6H3;10H,7-9H2,1-6H3;2*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4*1-2H3/t;;;;9-;;2*8-;;;;/m....0.10..../s1.

What are the key properties of 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane?

1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane has a molecular weight of 1502.83 g/mol, XLogP of 28.56, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane is sourced from PubChem (CID 159956624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).