bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)

C54H108N6O6Sm2 — CID 139185076

IUPACbis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)
SMILESCC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].[Sm+3].[Sm+3]
InChIInChI=1S/6C9H18NO.2Sm/c6*1-8(2)6-5-7-9(3,4)10(8)11;;/h6*5-7H2,1-4H3;;/q6*-1;2*+3
InChIKeyMZKOKTZGQNHMSI-UHFFFAOYSA-N
MW1238.21 g/mol
LogP15.16
Rot. Bonds

About bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)

bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine) (PubChem CID 139185076) has the molecular formula C54H108N6O6Sm2 and a molecular weight of 1238.21 g/mol. Its IUPAC name is bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine).

Molecular Properties

Compound Namebis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)
PubChem CID139185076
Molecular FormulaC54H108N6O6Sm2
Molecular Weight1238.21 g/mol
Exact Mass1240.67
IUPAC Namebis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)
SMILESCC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].[Sm+3].[Sm+3]
InChIInChI=1S/6C9H18NO.2Sm/c6*1-8(2)6-5-7-9(3,4)10(8)11;;/h6*5-7H2,1-4H3;;/q6*-1;2*+3
InChIKeyMZKOKTZGQNHMSI-UHFFFAOYSA-N
XLogP15.16
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001238.21
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine) with MolForge

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Related Compounds

sodium 2,2,6,6-tetramethyl-1-oxidopiperidine
CID 23674768
(2,2,6,6-tetramethylpiperidin-1-yl)-(2,2,6,6-tetramethylpiperidin-1-yl)phosphanylidenephosphane
CID 2784581
1,2,2,6,6-pentamethylpiperidine
CID 6603
1,2,2,6,6-pentamethylpiperidine iodide
CID 5315073
1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 549976
Tempo
CID 2724126
1-methoxy-2,2,6,6-tetramethylpiperidine
CID 5074768
1,2,2,7,7-pentamethylazepane
CID 22946774
chloro-(2,2,6,6-tetramethylpiperidin-1-yl)phosphane
CID 16696546
1,2,2,6-tetramethyl-6-methylpiperidine
CID 59068978
1,2,2,6,6-pentamethylpiperidine;1,1,3,3-tetramethylcyclohexane
CID 165011637
2,2,6,6-tetramethyl-1-[10-(2,2,6,6-tetramethylpiperidin-1-yl)decyl]piperidine
CID 46232797

Frequently Asked Questions

What is the IUPAC name of bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)?
The IUPAC name of bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine) (CID 139185076) is bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine).
What is the SMILES notation for bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)?
The canonical SMILES for bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine) is CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].CC1(C)CCCC(C)(C)N1[O-].[Sm+3].[Sm+3].
What is the InChIKey of bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)?
The InChIKey is MZKOKTZGQNHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H18NO.2Sm/c6*1-8(2)6-5-7-9(3,4)10(8)11;;/h6*5-7H2,1-4H3;;/q6*-1;2*+3.
What are the key properties of bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine)?
bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine) has a molecular weight of 1238.21 g/mol, XLogP of 15.16, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(samarium(3+));hexakis(2,2,6,6-tetramethyl-1-oxidopiperidine) is sourced from PubChem (CID 139185076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).