chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol

C28H60Cl4N4Ni4O8-4 — CID 5255582

IUPACchloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol
SMILESCO.CO.CO.CO.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].OCC1C=CC=C[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1
InChIInChI=1S/3C6H12NO.C6H8NO.4CH4O.4ClH.4Ni/c4*8-5-6-3-1-2-4-7-6;4*1-2;;;;;;;;/h3*6,8H,1-5H2;1-4,6,8H,5H2;4*2H,1H3;4*1H;;;;/q4*-1;;;;;;;;;4*+1/p-4
InChIKeyHTKUWHXKVKPSHO-UHFFFAOYSA-J
MW957.39 g/mol
LogP4.70
Rot. Bonds4

About chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol

chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol (PubChem CID 5255582) has the molecular formula C28H60Cl4N4Ni4O8-4 and a molecular weight of 957.39 g/mol. Its IUPAC name is chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol.

Molecular Properties

Compound Namechloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol
PubChem CID5255582
Molecular FormulaC28H60Cl4N4Ni4O8-4
Molecular Weight957.39 g/mol
Exact Mass952.06
IUPAC Namechloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol
SMILESCO.CO.CO.CO.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].OCC1C=CC=C[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1
InChIInChI=1S/3C6H12NO.C6H8NO.4CH4O.4ClH.4Ni/c4*8-5-6-3-1-2-4-7-6;4*1-2;;;;;;;;/h3*6,8H,1-5H2;1-4,6,8H,5H2;4*2H,1H3;4*1H;;;;/q4*-1;;;;;;;;;4*+1/p-4
InChIKeyHTKUWHXKVKPSHO-UHFFFAOYSA-J
XLogP4.70
TPSA218.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.39
LogP ≤ 54.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol?
The IUPAC name of chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol (CID 5255582) is chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol.
What is the SMILES notation for chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol?
The canonical SMILES for chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol is CO.CO.CO.CO.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].OCC1C=CC=C[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.
What is the InChIKey of chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol?
The InChIKey is HTKUWHXKVKPSHO-UHFFFAOYSA-J. The full InChI is InChI=1S/3C6H12NO.C6H8NO.4CH4O.4ClH.4Ni/c4*8-5-6-3-1-2-4-7-6;4*1-2;;;;;;;;/h3*6,8H,1-5H2;1-4,6,8H,5H2;4*2H,1H3;4*1H;;;;/q4*-1;;;;;;;;;4*+1/p-4.
What are the key properties of chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol?
chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol has a molecular weight of 957.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol is sourced from PubChem (CID 5255582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).