1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium

C13H18N3V- — CID 171542144

IUPAC1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium
SMILESC=Cc1c[c-]cc(CN2CCN(C)CC2)n1.[V]
InChIInChI=1S/C13H18N3.V/c1-3-12-5-4-6-13(14-12)11-16-9-7-15(2)8-10-16;/h3,5-6H,1,7-11H2,2H3;/q-1;
InChIKeyDKRWHKIDVAXJGG-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.27
Rot. Bonds3

About 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium

1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium (PubChem CID 171542144) has the molecular formula C13H18N3V- and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium.

Molecular Properties

Compound Name1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium
PubChem CID171542144
Molecular FormulaC13H18N3V-
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium
SMILESC=Cc1c[c-]cc(CN2CCN(C)CC2)n1.[V]
InChIInChI=1S/C13H18N3.V/c1-3-12-5-4-6-13(14-12)11-16-9-7-15(2)8-10-16;/h3,5-6H,1,7-11H2,2H3;/q-1;
InChIKeyDKRWHKIDVAXJGG-UHFFFAOYSA-N
XLogP1.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium?
The IUPAC name of 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium (CID 171542144) is 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium.
What is the SMILES notation for 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium?
The canonical SMILES for 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium is C=Cc1c[c-]cc(CN2CCN(C)CC2)n1.[V].
What is the InChIKey of 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium?
The InChIKey is DKRWHKIDVAXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N3.V/c1-3-12-5-4-6-13(14-12)11-16-9-7-15(2)8-10-16;/h3,5-6H,1,7-11H2,2H3;/q-1;.
What are the key properties of 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium?
1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium has a molecular weight of 267.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethenyl-4H-pyridin-4-id-2-yl)methyl]-4-methylpiperazine;vanadium is sourced from PubChem (CID 171542144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).