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

C16H34CoN2O6P2 — CID 54598606

IUPACcobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)
SMILESCCOP(=O)(O)C1CCCC(C)[N-]1.CCOP(=O)(O)C1CCCC(C)[N-]1.[Co+2]
InChIInChI=1S/2C8H17NO3P.Co/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
InChIKeyLVRUZDHIXFHGHV-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.96
Rot. Bonds6

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

cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid) (PubChem CID 54598606) has the molecular formula C16H34CoN2O6P2 and a molecular weight of 471.34 g/mol. Its IUPAC name is cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid).

Molecular Properties

Compound Namecobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)
PubChem CID54598606
Molecular FormulaC16H34CoN2O6P2
Molecular Weight471.34 g/mol
Exact Mass471.12
IUPAC Namecobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)
SMILESCCOP(=O)(O)C1CCCC(C)[N-]1.CCOP(=O)(O)C1CCCC(C)[N-]1.[Co+2]
InChIInChI=1S/2C8H17NO3P.Co/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
InChIKeyLVRUZDHIXFHGHV-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 ≤ 500471.34
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

bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid);nickel(2+)
CID 54607432
(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
diethyl hydrogen phosphate;sulfane
CID 88774651
CID 54611578
CID 54611578
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 101403900
CID 101403900
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
azane;bis(ethyl dihydrogen phosphate)
CID 174611775

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)?
The IUPAC name of cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid) (CID 54598606) is cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid).
What is the SMILES notation for cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)?
The canonical SMILES for cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid) is CCOP(=O)(O)C1CCCC(C)[N-]1.CCOP(=O)(O)C1CCCC(C)[N-]1.[Co+2].
What is the InChIKey of cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)?
The InChIKey is LVRUZDHIXFHGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17NO3P.Co/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 cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid)?
cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid) has a molecular weight of 471.34 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 cobalt(2+);bis(ethoxy-(6-methylpiperidin-1-id-2-yl)phosphinic acid) is sourced from PubChem (CID 54598606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).