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)

C47H70N4O4Rh2-2 — CID 161273691

IUPAC2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;2-[(2S)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;methane;bis(rhodium)
SMILESC.CC.CC.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.C[C@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.[CH3-].[CH3-].[Rh].[Rh]
InChIInChI=1S/2C20H24N2O2.2C2H6.CH4.2CH3.2Rh/c2*1-16-14-22(13-12-21(16)15-19(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-2;;;;;/h2*2-11,16,20H,12-15H2,1H3,(H,23,24);2*1-2H3;1H4;2*1H3;;/q;;;;;2*-1;;/t2*16-;;;;;;;/m10......./s1
InChIKeyBIDRIZZTCSPYQC-KGAQCBCGSA-N
MW960.91 g/mol
LogP9.32
Rot. Bonds10

About 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)

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) (PubChem CID 161273691) has the molecular formula C47H70N4O4Rh2-2 and a molecular weight of 960.91 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;2-[(2S)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;methane;bis(rhodium)
PubChem CID161273691
Molecular FormulaC47H70N4O4Rh2-2
Molecular Weight960.91 g/mol
Exact Mass960.35
IUPAC Name2-[(2R)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;2-[(2S)-4-benzhydryl-2-methylpiperazin-1-yl]acetic acid;carbanide;ethane;methane;bis(rhodium)
SMILESC.CC.CC.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.C[C@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.[CH3-].[CH3-].[Rh].[Rh]
InChIInChI=1S/2C20H24N2O2.2C2H6.CH4.2CH3.2Rh/c2*1-16-14-22(13-12-21(16)15-19(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-2;;;;;/h2*2-11,16,20H,12-15H2,1H3,(H,23,24);2*1-2H3;1H4;2*1H3;;/q;;;;;2*-1;;/t2*16-;;;;;;;/m10......./s1
InChIKeyBIDRIZZTCSPYQC-KGAQCBCGSA-N
XLogP9.32
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.91
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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;carbanide;ethane;rhodium
CID 161086526
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-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68930763

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is C.CC.CC.C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.C[C@H]1CN(C(c2ccccc2)c2ccccc2)CCN1CC(=O)O.[CH3-].[CH3-].[Rh].[Rh].
What is the InChIKey of 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)?
The InChIKey is BIDRIZZTCSPYQC-KGAQCBCGSA-N. The full InChI is InChI=1S/2C20H24N2O2.2C2H6.CH4.2CH3.2Rh/c2*1-16-14-22(13-12-21(16)15-19(23)24)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-2;;;;;/h2*2-11,16,20H,12-15H2,1H3,(H,23,24);2*1-2H3;1H4;2*1H3;;/q;;;;;2*-1;;/t2*16-;;;;;;;/m10......./s1.
What are the key properties of 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)?
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) has a molecular weight of 960.91 g/mol, XLogP of 9.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161273691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).