magnesium;1-propan-2-ylpiperidin-4-ide;chloride

C8H16ClMgN — CID 88688532

IUPACmagnesium;1-propan-2-ylpiperidin-4-ide;chloride
SMILESCC(C)N1CC[CH-]CC1.[Cl-].[Mg+2]
InChIInChI=1S/C8H16N.ClH.Mg/c1-8(2)9-6-4-3-5-7-9;;/h3,8H,4-7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeySWLQQEMZEHQOJC-UHFFFAOYSA-M
MW185.98 g/mol
LogP-1.68
Rot. Bonds1

About magnesium;1-propan-2-ylpiperidin-4-ide;chloride

magnesium;1-propan-2-ylpiperidin-4-ide;chloride (PubChem CID 88688532) has the molecular formula C8H16ClMgN and a molecular weight of 185.98 g/mol. Its IUPAC name is magnesium;1-propan-2-ylpiperidin-4-ide;chloride.

Molecular Properties

Compound Namemagnesium;1-propan-2-ylpiperidin-4-ide;chloride
PubChem CID88688532
Molecular FormulaC8H16ClMgN
Molecular Weight185.98 g/mol
Exact Mass185.08
IUPAC Namemagnesium;1-propan-2-ylpiperidin-4-ide;chloride
SMILESCC(C)N1CC[CH-]CC1.[Cl-].[Mg+2]
InChIInChI=1S/C8H16N.ClH.Mg/c1-8(2)9-6-4-3-5-7-9;;/h3,8H,4-7H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeySWLQQEMZEHQOJC-UHFFFAOYSA-M
XLogP-1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.98
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;1-propan-2-ylpiperidin-4-ide;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 1-propan-2-ylpiperidin-4-ide
CID 59216559
ethane;1-propan-2-ylpyrrolidin-4-ide;rhenium
CID 171658478
1-propan-2-ylpiperidin-5-ide;vanadium
CID 166117378
ethane;1-propan-2-ylpyrrolidine
CID 167557798
ethane;1-propan-2-ylpiperidin-5-ide;rubidium(1+)
CID 169182346
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830

Frequently Asked Questions

What is the IUPAC name of magnesium;1-propan-2-ylpiperidin-4-ide;chloride?
The IUPAC name of magnesium;1-propan-2-ylpiperidin-4-ide;chloride (CID 88688532) is magnesium;1-propan-2-ylpiperidin-4-ide;chloride.
What is the SMILES notation for magnesium;1-propan-2-ylpiperidin-4-ide;chloride?
The canonical SMILES for magnesium;1-propan-2-ylpiperidin-4-ide;chloride is CC(C)N1CC[CH-]CC1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-propan-2-ylpiperidin-4-ide;chloride?
The InChIKey is SWLQQEMZEHQOJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.ClH.Mg/c1-8(2)9-6-4-3-5-7-9;;/h3,8H,4-7H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-propan-2-ylpiperidin-4-ide;chloride?
magnesium;1-propan-2-ylpiperidin-4-ide;chloride has a molecular weight of 185.98 g/mol, XLogP of -1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-propan-2-ylpiperidin-4-ide;chloride is sourced from PubChem (CID 88688532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).