2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium

C23H33N2O2Rh- — CID 161086526

IUPAC2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium
SMILESCC.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.[CH3-].[Rh]
InChIInChI=1S/C20H24N2O2.C2H6.CH3.Rh/c1-16-14-22(13-12-21(16)15-19(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2;;/h2-11,16,20H,12-15H2,1H3,(H,23,24);1-2H3;1H3;/q;;-1;/t16-;;;/m1.../s1
InChIKeyAKKCVYQNLATDHJ-UFRNLTNDSA-N
MW472.44 g/mol
LogP4.34
Rot. Bonds5

About 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium

2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium (PubChem CID 161086526) has the molecular formula C23H33N2O2Rh- and a molecular weight of 472.44 g/mol. Its IUPAC name is 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium.

Molecular Properties

Compound Name2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium
PubChem CID161086526
Molecular FormulaC23H33N2O2Rh-
Molecular Weight472.44 g/mol
Exact Mass472.16
IUPAC Name2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium
SMILESCC.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.[CH3-].[Rh]
InChIInChI=1S/C20H24N2O2.C2H6.CH3.Rh/c1-16-14-22(13-12-21(16)15-19(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2;;/h2-11,16,20H,12-15H2,1H3,(H,23,24);1-2H3;1H3;/q;;-1;/t16-;;;/m1.../s1
InChIKeyAKKCVYQNLATDHJ-UFRNLTNDSA-N
XLogP4.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;2-[(2S)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;methane;bis(rhodium)
CID 161273691
2-[(2R)-2-methyl-4-[phenyl-(3-phenylphenyl)methyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68937255
2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid
CID 68930449
2-[(2R)-4-[(3-bromophenyl)-(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
CID 68931684
butyl 2-[(2R)-2-methyl-4-[(S)-phenyl-[4-(2-phenylethynyl)phenyl]methyl]piperazin-1-yl]acetate
CID 142781338
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
2-(4-benzhydrylpiperazin-1-yl)-N,N-dimethylacetamide
CID 1439299
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)acetic acid
CID 119137919
2-[(2R)-2-methyl-4-(2-phenylcyclohexyl)piperazin-1-yl]acetic acid
CID 59590179
2-(4-ethyl-3-methylpiperazin-1-yl)-1-phenylbutan-1-one
CID 63611147
bis(N-[4-(4-benzhydryl-2-methylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide);hydrate
CID 173375719
2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 19827122

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium?
The IUPAC name of 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium (CID 161086526) is 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium.
What is the SMILES notation for 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium?
The canonical SMILES for 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium is CC.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.[CH3-].[Rh].
What is the InChIKey of 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium?
The InChIKey is AKKCVYQNLATDHJ-UFRNLTNDSA-N. The full InChI is InChI=1S/C20H24N2O2.C2H6.CH3.Rh/c1-16-14-22(13-12-21(16)15-19(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2;;/h2-11,16,20H,12-15H2,1H3,(H,23,24);1-2H3;1H3;/q;;-1;/t16-;;;/m1.../s1.
What are the key properties of 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium?
2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium has a molecular weight of 472.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;rhodium is sourced from PubChem (CID 161086526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).