magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide

C13H18BrMgNO — CID 15458268

IUPACmagnesium;1-[2-(phenoxy)ethyl]piperidine;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H18NO.BrH.Mg/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;;/h3-4,7-8H,2,5-6,9-12H2;1H;/q-1;;+2/p-1
InChIKeyBWKGVFCEDQCWEA-UHFFFAOYSA-M
MW308.50 g/mol
LogP-1.03
Rot. Bonds4

About magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide

magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide (PubChem CID 15458268) has the molecular formula C13H18BrMgNO and a molecular weight of 308.50 g/mol. Its IUPAC name is magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide.

Molecular Properties

Compound Namemagnesium;1-[2-(phenoxy)ethyl]piperidine;bromide
PubChem CID15458268
Molecular FormulaC13H18BrMgNO
Molecular Weight308.50 g/mol
Exact Mass307.04
IUPAC Namemagnesium;1-[2-(phenoxy)ethyl]piperidine;bromide
SMILES[Br-].[Mg+2].[c-]1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H18NO.BrH.Mg/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;;/h3-4,7-8H,2,5-6,9-12H2;1H;/q-1;;+2/p-1
InChIKeyBWKGVFCEDQCWEA-UHFFFAOYSA-M
XLogP-1.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(Diethylamino)ethoxy)phenylmagnesium bromide
CID 13600839
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)magnesium bromide, 0.25 M in THF
CID 57349196
4-(3-Piperidinopropoxy)phenylmagnesium bromide
CID 57672029
Magnesium bromide 4-[2-(diethylamino)ethoxy]benzen-1-ide (1/1/1)
CID 73185304
Magnesium bromide 4-[2-(pyrrolidin-1-yl)ethoxy]benzen-1-ide (1/1/1)
CID 76518948
Magnesium;1-[2-(phenoxy)ethyl]azepane;bromide
CID 87785174
Magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide
CID 88347582
1-(2-Buta-1,3-dien-2-yloxyethyl)piperidine
CID 88867291
1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 141973839
1-(2-Cyclohepta-1,3,6-trien-1-yloxyethyl)piperidine
CID 142368758
3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 144279111

Frequently Asked Questions

What is the IUPAC name of magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide?
The IUPAC name of magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide (CID 15458268) is magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide.
What is the SMILES notation for magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide?
The canonical SMILES for magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide is [Br-].[Mg+2].[c-]1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide?
The InChIKey is BWKGVFCEDQCWEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18NO.BrH.Mg/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;;/h3-4,7-8H,2,5-6,9-12H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide?
magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide has a molecular weight of 308.50 g/mol, XLogP of -1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-[2-(phenoxy)ethyl]piperidine;bromide is sourced from PubChem (CID 15458268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).