bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride

C36H69ClN4OV-4 — CID 5246827

IUPACbis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride
SMILESCC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.Cl.O=[V]
InChIInChI=1S/2C18H34N2.ClH.O.V/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;;;/h2*13-16H,7-12H2,1-6H3;1H;;/q2*-2;;;
InChIKeyAENSBWGYOXMALD-UHFFFAOYSA-N
MW660.37 g/mol
LogP11.07
Rot. Bonds2

About bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride

bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride (PubChem CID 5246827) has the molecular formula C36H69ClN4OV-4 and a molecular weight of 660.37 g/mol. Its IUPAC name is bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride.

Molecular Properties

Compound Namebis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride
PubChem CID5246827
Molecular FormulaC36H69ClN4OV-4
Molecular Weight660.37 g/mol
Exact Mass659.46
IUPAC Namebis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride
SMILESCC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.Cl.O=[V]
InChIInChI=1S/2C18H34N2.ClH.O.V/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;;;/h2*13-16H,7-12H2,1-6H3;1H;;/q2*-2;;;
InChIKeyAENSBWGYOXMALD-UHFFFAOYSA-N
XLogP11.07
TPSA73.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.37
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tris(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59100553
Carbanide;bis(4-methyl-2-(4-methylpiperidin-1-id-2-yl)piperidin-1-ide);ruthenium(6+)
CID 59582768
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine;N,N-diethyl-4,4-dimethylpentan-1-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)pyrrolidine;1-(4,4-dimethylpentyl)pyrrolidine;3-(2,2-dimethylpropyl)-1-ethylpiperidine;N-ethyl-N,3,3-trimethylbutan-1-amine
CID 167641118
Copper;bis(2-(4,6-dimethylpiperidin-1-id-2-yl)-4,6-dimethylpiperidin-1-ide);hydrate
CID 5256096
Bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride
CID 50922135

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride?
The IUPAC name of bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride (CID 5246827) is bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride.
What is the SMILES notation for bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride?
The canonical SMILES for bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride is CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.CC(C)(C)C1CC[N-]C(C2CC(C(C)(C)C)CC[N-]2)C1.Cl.O=[V].
What is the InChIKey of bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride?
The InChIKey is AENSBWGYOXMALD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H34N2.ClH.O.V/c2*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;;;/h2*13-16H,7-12H2,1-6H3;1H;;/q2*-2;;;.
What are the key properties of bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride?
bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride has a molecular weight of 660.37 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-(4-tert-butylpiperidin-1-id-2-yl)piperidin-1-ide);oxovanadium;hydrochloride is sourced from PubChem (CID 5246827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).