zinc;1-(phenylmethyl)piperidine;iodide

C12H16INZn — CID 170999956

IUPACzinc;1-(phenylmethyl)piperidine;iodide
SMILES[I-].[Zn+2].[c-]1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H16N.HI.Zn/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h3-4,7-8H,2,5-6,9-11H2;1H;/q-1;;+2/p-1
InChIKeyMWCFKOUVTBULJQ-UHFFFAOYSA-M
MW366.56 g/mol
LogP-0.53
Rot. Bonds2

About zinc;1-(phenylmethyl)piperidine;iodide

zinc;1-(phenylmethyl)piperidine;iodide (PubChem CID 170999956) has the molecular formula C12H16INZn and a molecular weight of 366.56 g/mol. Its IUPAC name is zinc;1-(phenylmethyl)piperidine;iodide.

Molecular Properties

Compound Namezinc;1-(phenylmethyl)piperidine;iodide
PubChem CID170999956
Molecular FormulaC12H16INZn
Molecular Weight366.56 g/mol
Exact Mass364.96
IUPAC Namezinc;1-(phenylmethyl)piperidine;iodide
SMILES[I-].[Zn+2].[c-]1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H16N.HI.Zn/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h3-4,7-8H,2,5-6,9-11H2;1H;/q-1;;+2/p-1
InChIKeyMWCFKOUVTBULJQ-UHFFFAOYSA-M
XLogP-0.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.56
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;1-(phenylmethyl)piperidine;iodide?
The IUPAC name of zinc;1-(phenylmethyl)piperidine;iodide (CID 170999956) is zinc;1-(phenylmethyl)piperidine;iodide.
What is the SMILES notation for zinc;1-(phenylmethyl)piperidine;iodide?
The canonical SMILES for zinc;1-(phenylmethyl)piperidine;iodide is [I-].[Zn+2].[c-]1ccc(CN2CCCCC2)cc1.
What is the InChIKey of zinc;1-(phenylmethyl)piperidine;iodide?
The InChIKey is MWCFKOUVTBULJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N.HI.Zn/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h3-4,7-8H,2,5-6,9-11H2;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1-(phenylmethyl)piperidine;iodide?
zinc;1-(phenylmethyl)piperidine;iodide has a molecular weight of 366.56 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-(phenylmethyl)piperidine;iodide is sourced from PubChem (CID 170999956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).