dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine

C33H40Cl2N2P2Ru — CID 139238369

IUPACdichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine
SMILESCl[Ru]Cl.NCC1CCCCN1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C6H14N2.2ClH.Ru/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;7-5-6-3-1-2-4-8-6;;;/h1-12,14-21H,13,22-23H2;6,8H,1-5,7H2;2*1H;/q;;;;+2/p-2
InChIKeyBHJUJLXFOMTHJD-UHFFFAOYSA-L
MW698.62 g/mol
LogP7.11
Rot. Bonds9

About dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine

dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine (PubChem CID 139238369) has the molecular formula C33H40Cl2N2P2Ru and a molecular weight of 698.62 g/mol. Its IUPAC name is dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine.

Molecular Properties

Compound Namedichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine
PubChem CID139238369
Molecular FormulaC33H40Cl2N2P2Ru
Molecular Weight698.62 g/mol
Exact Mass698.11
IUPAC Namedichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine
SMILESCl[Ru]Cl.NCC1CCCCN1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P2.C6H14N2.2ClH.Ru/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;7-5-6-3-1-2-4-8-6;;;/h1-12,14-21H,13,22-23H2;6,8H,1-5,7H2;2*1H;/q;;;;+2/p-2
InChIKeyBHJUJLXFOMTHJD-UHFFFAOYSA-L
XLogP7.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.62
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
CID 101469589
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
[(2R)-piperidin-2-yl]methanamine;hydrochloride
CID 70654045
cyclohexane-1,3,5-triamine;3-diphenylphosphanylpropyl(diphenyl)phosphane;ruthenium(2+);dichloride;hydrate
CID 71532982
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
2-(piperidin-2-ylmethyl)aniline
CID 84662844
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
2-diphenylphosphanylethanamine;3-(2-methylpiperidin-1-yl)propan-1-amine
CID 145123756
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 106632941
1-benzyl-4-(pyrrolidin-2-ylmethyl)piperidine
CID 82665559

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine?
The IUPAC name of dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine (CID 139238369) is dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine.
What is the SMILES notation for dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine?
The canonical SMILES for dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine is Cl[Ru]Cl.NCC1CCCCN1.c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine?
The InChIKey is BHJUJLXFOMTHJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H26P2.C6H14N2.2ClH.Ru/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;7-5-6-3-1-2-4-8-6;;;/h1-12,14-21H,13,22-23H2;6,8H,1-5,7H2;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine?
dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine has a molecular weight of 698.62 g/mol, XLogP of 7.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine is sourced from PubChem (CID 139238369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).