bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine

C88H183N7 — CID 159525172

IUPACbis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CNC(C(C)(C)C)C1
InChIInChI=1S/4C13H27N.3C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)10-7-8-13(9-10)12(4,5)6/h2*11H,7-10H2,1-6H3;2*10-11,14H,7-9H2,1-6H3;9-10,13H,7-8H2,1-6H3;2*10H,7-9H2,1-6H3
InChIKeyMCHHMVRODTUEHO-UHFFFAOYSA-N
MW1339.48 g/mol
LogP23.34
Rot. Bonds

About bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine

bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine (PubChem CID 159525172) has the molecular formula C88H183N7 and a molecular weight of 1339.48 g/mol. Its IUPAC name is bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine.

Molecular Properties

Compound Namebis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine
PubChem CID159525172
Molecular FormulaC88H183N7
Molecular Weight1339.48 g/mol
Exact Mass1338.45
IUPAC Namebis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine
SMILESCC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CNC(C(C)(C)C)C1
InChIInChI=1S/4C13H27N.3C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)10-7-8-13(9-10)12(4,5)6/h2*11H,7-10H2,1-6H3;2*10-11,14H,7-9H2,1-6H3;9-10,13H,7-8H2,1-6H3;2*10H,7-9H2,1-6H3
InChIKeyMCHHMVRODTUEHO-UHFFFAOYSA-N
XLogP23.34
TPSA49.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.48
LogP ≤ 523.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[8-[5-(1,8-Diazaspiro[4.5]decan-8-yl)-2,5-dimethylhexan-2-yl]-2,8-diazaspiro[4.5]decan-6-yl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 137508378
(2S)-2-(2,2-dimethylpropyl)piperidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;ethane;(3R)-3-methyl-1-azabicyclo[2.2.2]octane;(3R)-3-methylpiperidine;3-methylpyrrolidine
CID 157227249
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);N-methyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine;4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 157250433
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 157259153
1,2,2,6,6-Pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine;2,2,6,6-tetraethyl-1-methylpiperidine;2,2,6,6-tetraethylpiperidine;2,2,6,6-tetramethylpiperidine;2,2,5,5-tetramethylpyrrolidine
CID 157305264
Bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);tris(1,3-ditert-butylpyrrolidine)
CID 157401925
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157426798
1-Tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;methane
CID 157615659
1-Tert-butyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine
CID 157739740
1-Tert-butyl-4-piperidin-4-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine;1-(5,5-dimethylhexyl)pyrrolidine
CID 157814677
8-Tert-butyl-2,8-diazaspiro[4.5]decane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;2,9-diazaspiro[4.5]decane;2,7-diazaspiro[4.4]nonane;octakis(2-methylpropane);2-propan-2-yl-2,8-diazaspiro[5.5]undecane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 157824315
(3R)-1,3-ditert-butylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 157948271

Frequently Asked Questions

What is the IUPAC name of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine?
The IUPAC name of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine (CID 159525172) is bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine.
What is the SMILES notation for bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine?
The canonical SMILES for bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine is CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCC(C(C)(C)C)NC1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CNC(C(C)(C)C)C1.
What is the InChIKey of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine?
The InChIKey is MCHHMVRODTUEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H27N.3C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;2*1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)10-7-8-13(9-10)12(4,5)6/h2*11H,7-10H2,1-6H3;2*10-11,14H,7-9H2,1-6H3;9-10,13H,7-8H2,1-6H3;2*10H,7-9H2,1-6H3.
What are the key properties of bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine?
bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine has a molecular weight of 1339.48 g/mol, XLogP of 23.34, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-ditert-butylpiperidine);bis(2,5-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butylpyrrolidine is sourced from PubChem (CID 159525172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).