bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)

C16H34N2NiO6P2 — CID 54607432

IUPACbis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)
SMILESCCOP(=O)(O)C1CCCC(C)[N-]1.CCOP(=O)(O)C1CCCC(C)[N-]1.[Ni+2]
InChIInChI=1S/2C8H17NO3P.Ni/c2*1-3-12-13(10,11)8-6-4-5-7(2)9-8;/h2*7-8H,3-6H2,1-2H3,(H,10,11);/q2*-1;+2
InChIKeyVDEBKKMQMZARIY-UHFFFAOYSA-N
MW471.10 g/mol
LogP4.96
Rot. Bonds6

About bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)

bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+) (PubChem CID 54607432) has the molecular formula C16H34N2NiO6P2 and a molecular weight of 471.10 g/mol. Its IUPAC name is bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+).

Molecular Properties

Compound Namebis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)
PubChem CID54607432
Molecular FormulaC16H34N2NiO6P2
Molecular Weight471.10 g/mol
Exact Mass470.12
IUPAC Namebis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)
SMILESCCOP(=O)(O)C1CCCC(C)[N-]1.CCOP(=O)(O)C1CCCC(C)[N-]1.[Ni+2]
InChIInChI=1S/2C8H17NO3P.Ni/c2*1-3-12-13(10,11)8-6-4-5-7(2)9-8;/h2*7-8H,3-6H2,1-2H3,(H,10,11);/q2*-1;+2
InChIKeyVDEBKKMQMZARIY-UHFFFAOYSA-N
XLogP4.96
TPSA121.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.10
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)
CID 54598606
(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
CID 11402086
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 54611578
CID 54611578
CID 101403900
CID 101403900
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;bis(ethyl dihydrogen phosphate)
CID 174611775

Frequently Asked Questions

What is the IUPAC name of bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)?
The IUPAC name of bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+) (CID 54607432) is bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+).
What is the SMILES notation for bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)?
The canonical SMILES for bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+) is CCOP(=O)(O)C1CCCC(C)[N-]1.CCOP(=O)(O)C1CCCC(C)[N-]1.[Ni+2].
What is the InChIKey of bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)?
The InChIKey is VDEBKKMQMZARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17NO3P.Ni/c2*1-3-12-13(10,11)8-6-4-5-7(2)9-8;/h2*7-8H,3-6H2,1-2H3,(H,10,11);/q2*-1;+2.
What are the key properties of bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)?
bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+) has a molecular weight of 471.10 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+) is sourced from PubChem (CID 54607432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).