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;ethane

C86H187N7 — CID 159665952

IUPAC1-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;ethane
SMILESCC.CC.CC.CC.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.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
InChIInChI=1S/C14H29N.2C13H27N.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;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;2*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4*1-2H3/t;;;9-;;2*8-;;;;/m...0.10..../s1
InChIKeyMTJZLGZOIMNJSB-WICJJRRQSA-N
MW1319.49 g/mol
LogP25.27
Rot. Bonds1

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;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;ethane (PubChem CID 159665952) has the molecular formula C86H187N7 and a molecular weight of 1319.49 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;ethane.

Molecular Properties

Compound Name1-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;ethane
PubChem CID159665952
Molecular FormulaC86H187N7
Molecular Weight1319.49 g/mol
Exact Mass1318.48
IUPAC Name1-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;ethane
SMILESCC.CC.CC.CC.CC(C)(C)C1CCCCN1C(C)(C)C.CC(C)(C)C1CCCN(C(C)(C)C)C1.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
InChIInChI=1S/C14H29N.2C13H27N.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;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;2*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;4*1-2H3/t;;;9-;;2*8-;;;;/m...0.10..../s1
InChIKeyMTJZLGZOIMNJSB-WICJJRRQSA-N
XLogP25.27
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001319.49
LogP ≤ 525.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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;ethane with MolForge

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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;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;ethane (CID 159665952) 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;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;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;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)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;ethane?
The InChIKey is MTJZLGZOIMNJSB-WICJJRRQSA-N. The full InChI is InChI=1S/C14H29N.2C13H27N.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;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;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;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;ethane has a molecular weight of 1319.49 g/mol, XLogP of 25.27, 1 rotatable bonds, 0 hydrogen bond donors, and 7 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;ethane is sourced from PubChem (CID 159665952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).