bromozinc(1+);1-(phenylmethyl)piperidine

C12H16BrNZn — CID 146001709

IUPACbromozinc(1+);1-(phenylmethyl)piperidine
SMILES[Zn+]Br.[c-]1ccccc1CN1CCCCC1
InChIInChI=1S/C12H16N.BrH.Zn/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1,3-4,7H,2,5-6,9-11H2;1H;/q-1;;+2/p-1
InChIKeyCBUSCLRLBKLBPU-UHFFFAOYSA-M
MW319.56 g/mol
LogP3.32
Rot. Bonds2

About bromozinc(1+);1-(phenylmethyl)piperidine

bromozinc(1+);1-(phenylmethyl)piperidine (PubChem CID 146001709) has the molecular formula C12H16BrNZn and a molecular weight of 319.56 g/mol. Its IUPAC name is bromozinc(1+);1-(phenylmethyl)piperidine.

Molecular Properties

Compound Namebromozinc(1+);1-(phenylmethyl)piperidine
PubChem CID146001709
Molecular FormulaC12H16BrNZn
Molecular Weight319.56 g/mol
Exact Mass316.98
IUPAC Namebromozinc(1+);1-(phenylmethyl)piperidine
SMILES[Zn+]Br.[c-]1ccccc1CN1CCCCC1
InChIInChI=1S/C12H16N.BrH.Zn/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1,3-4,7H,2,5-6,9-11H2;1H;/q-1;;+2/p-1
InChIKeyCBUSCLRLBKLBPU-UHFFFAOYSA-M
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 53.32
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'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-(phenylmethyl)piperidine?
The IUPAC name of bromozinc(1+);1-(phenylmethyl)piperidine (CID 146001709) is bromozinc(1+);1-(phenylmethyl)piperidine.
What is the SMILES notation for bromozinc(1+);1-(phenylmethyl)piperidine?
The canonical SMILES for bromozinc(1+);1-(phenylmethyl)piperidine is [Zn+]Br.[c-]1ccccc1CN1CCCCC1.
What is the InChIKey of bromozinc(1+);1-(phenylmethyl)piperidine?
The InChIKey is CBUSCLRLBKLBPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N.BrH.Zn/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;/h1,3-4,7H,2,5-6,9-11H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-(phenylmethyl)piperidine?
bromozinc(1+);1-(phenylmethyl)piperidine has a molecular weight of 319.56 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-(phenylmethyl)piperidine is sourced from PubChem (CID 146001709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).