1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium

C28H57N4U- — CID 159521265

IUPAC1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium
SMILESCC(C)(C)N1CC=[C-]CC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.[U]
InChIInChI=1S/C10H21N.C9H20N2.C9H16N.U/c1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;5H,6-8H2,1-3H3;/q;;-1;
InChIKeyHRAGEMCEDMLMGO-UHFFFAOYSA-N
MW687.82 g/mol
LogP5.40
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium

1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium (PubChem CID 159521265) has the molecular formula C28H57N4U- and a molecular weight of 687.82 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium
PubChem CID159521265
Molecular FormulaC28H57N4U-
Molecular Weight687.82 g/mol
Exact Mass687.51
IUPAC Name1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium
SMILESCC(C)(C)N1CC=[C-]CC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.[U]
InChIInChI=1S/C10H21N.C9H20N2.C9H16N.U/c1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;5H,6-8H2,1-3H3;/q;;-1;
InChIKeyHRAGEMCEDMLMGO-UHFFFAOYSA-N
XLogP5.40
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.82
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium (CID 159521265) is 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium is CC(C)(C)N1CC=[C-]CC1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.[U].
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium?
The InChIKey is HRAGEMCEDMLMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C9H16N.U/c1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;/h9H,5-8H2,1-4H3;5-8H2,1-4H3;5H,6-8H2,1-3H3;/q;;-1;.
What are the key properties of 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium?
1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium has a molecular weight of 687.82 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium is sourced from PubChem (CID 159521265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).