bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium

C32H59I6N4O2V2-2 — CID 160621587

IUPACbis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium
SMILESCCI.CCOC.CN1CCN(Cc2ccccc2)CC1.CN1CCN(Cc2ccccc2)CC1.CO.I[V](I)I.I[V]I.[CH3-].[CH3-]
InChIInChI=1S/2C12H18N2.C3H8O.C2H5I.CH4O.2CH3.5HI.2V/c2*1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-3-4-2;1-2-3;1-2;;;;;;;;;/h2*2-6H,7-11H2,1H3;3H2,1-2H3;2H2,1H3;2H,1H3;2*1H3;5*1H;;/q;;;;;2*-1;;;;;;+2;+3/p-5
InChIKeyCAFNRWXEVFCZHV-UHFFFAOYSA-I
MW1395.16 g/mol
LogP9.89
Rot. Bonds5

About bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium

bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium (PubChem CID 160621587) has the molecular formula C32H59I6N4O2V2-2 and a molecular weight of 1395.16 g/mol. Its IUPAC name is bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium.

Molecular Properties

Compound Namebis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium
PubChem CID160621587
Molecular FormulaC32H59I6N4O2V2-2
Molecular Weight1395.16 g/mol
Exact Mass1394.78
IUPAC Namebis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium
SMILESCCI.CCOC.CN1CCN(Cc2ccccc2)CC1.CN1CCN(Cc2ccccc2)CC1.CO.I[V](I)I.I[V]I.[CH3-].[CH3-]
InChIInChI=1S/2C12H18N2.C3H8O.C2H5I.CH4O.2CH3.5HI.2V/c2*1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-3-4-2;1-2-3;1-2;;;;;;;;;/h2*2-6H,7-11H2,1H3;3H2,1-2H3;2H2,1H3;2H,1H3;2*1H3;5*1H;;/q;;;;;2*-1;;;;;;+2;+3/p-5
InChIKeyCAFNRWXEVFCZHV-UHFFFAOYSA-I
XLogP9.89
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.16
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1-benzyl-4-methylpiperazine);ethane;methanol;methoxyethane;propane
CID 162104862
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-methylpiperazine;formic acid
CID 54605116
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011735
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzylpyrrolidine;propane
CID 143692089
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
(4-benzylpiperazin-1-yl) hypoiodite
CID 144778500
1-benzyl-4-heptylpiperazine
CID 22088087

Frequently Asked Questions

What is the IUPAC name of bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium?
The IUPAC name of bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium (CID 160621587) is bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium.
What is the SMILES notation for bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium?
The canonical SMILES for bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium is CCI.CCOC.CN1CCN(Cc2ccccc2)CC1.CN1CCN(Cc2ccccc2)CC1.CO.I[V](I)I.I[V]I.[CH3-].[CH3-].
What is the InChIKey of bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium?
The InChIKey is CAFNRWXEVFCZHV-UHFFFAOYSA-I. The full InChI is InChI=1S/2C12H18N2.C3H8O.C2H5I.CH4O.2CH3.5HI.2V/c2*1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-3-4-2;1-2-3;1-2;;;;;;;;;/h2*2-6H,7-11H2,1H3;3H2,1-2H3;2H2,1H3;2H,1H3;2*1H3;5*1H;;/q;;;;;2*-1;;;;;;+2;+3/p-5.
What are the key properties of bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium?
bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium has a molecular weight of 1395.16 g/mol, XLogP of 9.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzyl-4-methylpiperazine);carbanide;diiodovanadium;iodoethane;methanol;methoxyethane;triiodovanadium is sourced from PubChem (CID 160621587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).