nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride

C30H54ClN6Ni-5 — CID 163355437

IUPACnickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Cl-].[Ni+2]
InChIInChI=1S/3C10H18N2.ClH.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3*9-10H,1-8H2;1H;/q3*-2;;+2/p-1
InChIKeyHHOJEDHIPBAQEP-UHFFFAOYSA-M
MW592.95 g/mol
LogP5.52
Rot. Bonds3

About nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride

nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride (PubChem CID 163355437) has the molecular formula C30H54ClN6Ni-5 and a molecular weight of 592.95 g/mol. Its IUPAC name is nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride.

Molecular Properties

Compound Namenickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride
PubChem CID163355437
Molecular FormulaC30H54ClN6Ni-5
Molecular Weight592.95 g/mol
Exact Mass591.35
IUPAC Namenickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride
SMILESC1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Cl-].[Ni+2]
InChIInChI=1S/3C10H18N2.ClH.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3*9-10H,1-8H2;1H;/q3*-2;;+2/p-1
InChIKeyHHOJEDHIPBAQEP-UHFFFAOYSA-M
XLogP5.52
TPSA84.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.95
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Iron(6+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54603514
Dichlorocobalt;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54604644
Dichlororuthenium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 54612459
Ruthenium tris(2, dichloride
CID 54603649
Iridium;bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 59063314
Bis(piperidin-1-ide);bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59919011
4-Methyl-2-piperidin-1-id-2-ylpiperidin-1-ide;bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(6+)
CID 59973511
Bis(piperidin-1-ide);bis(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+)
CID 140444400
Tris(2-piperidin-1-id-2-ylpiperidin-1-ide);ruthenium(8+)
CID 140482762
Iridium;tris(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 5250517
Copper bis(2-piperidin-1-id-2-ylpiperidin-1-ide)
CID 5252195
8,8'-Spirobi[7,9-diaza-8-plumbatricyclo[7.4.0.02,7]tridecane]
CID 16685450

Frequently Asked Questions

What is the IUPAC name of nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride?
The IUPAC name of nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride (CID 163355437) is nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride.
What is the SMILES notation for nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride?
The canonical SMILES for nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride is C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.C1CCC(C2CCCC[N-]2)[N-]C1.[Cl-].[Ni+2].
What is the InChIKey of nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride?
The InChIKey is HHOJEDHIPBAQEP-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H18N2.ClH.Ni/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3*9-10H,1-8H2;1H;/q3*-2;;+2/p-1.
What are the key properties of nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride?
nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride has a molecular weight of 592.95 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);tris(2-piperidin-1-id-2-ylpiperidin-1-ide);chloride is sourced from PubChem (CID 163355437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).