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

C50H104N4 — CID 158109113

IUPACbis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)
SMILESCC(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
InChIInChI=1S/2C13H27N.2C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(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*10H,7-9H2,1-6H3
InChIKeyFQEVQDJETJBRHL-UHFFFAOYSA-N
MW761.41 g/mol
LogP13.39
Rot. Bonds

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

bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine) (PubChem CID 158109113) has the molecular formula C50H104N4 and a molecular weight of 761.41 g/mol. Its IUPAC name is bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine).

Molecular Properties

Compound Namebis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)
PubChem CID158109113
Molecular FormulaC50H104N4
Molecular Weight761.41 g/mol
Exact Mass760.83
IUPAC Namebis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)
SMILESCC(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
InChIInChI=1S/2C13H27N.2C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(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*10H,7-9H2,1-6H3
InChIKeyFQEVQDJETJBRHL-UHFFFAOYSA-N
XLogP13.39
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.41
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(2,3-Diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decan-8-yl)methyl]-2,3-diethyl-2,3-dimethyl-5-azoniaspiro[4.5]decane
CID 59110829
3-Methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane
CID 123412003
4,4-Dimethyl-1-[1-[1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]pyrrolidin-3-yl]propan-2-yl]piperidine
CID 129168163
(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 135165025
(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 135165031
(1R,4R)-2-tert-butyl-5-[2,4-dimethyl-4-[1-(2,3,3-trimethylpentan-2-yl)piperidin-4-yl]pentan-2-yl]-2,5-diazabicyclo[2.2.1]heptane;methane;propane
CID 142386375
2-Tert-butyl-8-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146548379
8-Tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
(4S)-2-tert-butyl-5-[2,4-dimethyl-4-[1-(2,3,3-trimethylpentan-2-yl)piperidin-4-yl]pentan-2-yl]-2,5-diazabicyclo[2.2.1]heptane;methane;propane
CID 153398672
8-Propan-2-yl-2-[5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-2-yl)hexan-2-yl]-2,8-diazaspiro[4.5]decane
CID 155277857
(3R)-2-ethyl-8-[5-[(3S)-8-ethyl-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]pentan-2-yl]-3-methyl-2,8-diazaspiro[4.5]decane
CID 156191330
(1S,5R)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 156550970

Frequently Asked Questions

What is the IUPAC name of bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)?
The IUPAC name of bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine) (CID 158109113) is bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine).
What is the SMILES notation for bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)?
The canonical SMILES for bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine) is 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.
What is the InChIKey of bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)?
The InChIKey is FQEVQDJETJBRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27N.2C12H25N/c2*1-12(2,3)11-7-9-14(10-8-11)13(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*10H,7-9H2,1-6H3.
What are the key properties of bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine)?
bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine) has a molecular weight of 761.41 g/mol, XLogP of 13.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-ditert-butylpiperidine);bis(1,3-ditert-butylpyrrolidine) is sourced from PubChem (CID 158109113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).