hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium

C12H23N2O3+ — CID 145480180

IUPAChydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
SMILESC=[N+](O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N2O3/c1-11(2,3)17-10(15)14-8-6-12(4,7-9-14)13(5)16/h16H,5-9H2,1-4H3/q+1
InChIKeyJGLHKIYTHSTZRA-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.88
Rot. Bonds1

About hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium

hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium (PubChem CID 145480180) has the molecular formula C12H23N2O3+ and a molecular weight of 243.33 g/mol. Its IUPAC name is hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium.

Molecular Properties

Compound Namehydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
PubChem CID145480180
Molecular FormulaC12H23N2O3+
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC Namehydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
SMILESC=[N+](O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23N2O3/c1-11(2,3)17-10(15)14-8-6-12(4,7-9-14)13(5)16/h16H,5-9H2,1-4H3/q+1
InChIKeyJGLHKIYTHSTZRA-UHFFFAOYSA-N
XLogP1.88
TPSA52.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium with MolForge

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Related Compounds

tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
4-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
CID 170991967
tert-butyl 4,4-difluoro-5-methylideneazepane-1-carboxylate
CID 138039661
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290

Frequently Asked Questions

What is the IUPAC name of hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The IUPAC name of hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium (CID 145480180) is hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium.
What is the SMILES notation for hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The canonical SMILES for hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium is C=[N+](O)C1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
The InChIKey is JGLHKIYTHSTZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2O3/c1-11(2,3)17-10(15)14-8-6-12(4,7-9-14)13(5)16/h16H,5-9H2,1-4H3/q+1.
What are the key properties of hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium?
hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium has a molecular weight of 243.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methylidene-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium is sourced from PubChem (CID 145480180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).