methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate

C9H17N3O3 — CID 58685033

IUPACmethyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=NOCCN)CC1
InChIInChI=1S/C9H17N3O3/c1-14-9(13)12-5-2-8(3-6-12)11-15-7-4-10/h2-7,10H2,1H3
InChIKeyJAHRYRHFELYARO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.18
Rot. Bonds3

About methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate

methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate (PubChem CID 58685033) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate
PubChem CID58685033
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Namemethyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=NOCCN)CC1
InChIInChI=1S/C9H17N3O3/c1-14-9(13)12-5-2-8(3-6-12)11-15-7-4-10/h2-7,10H2,1H3
InChIKeyJAHRYRHFELYARO-UHFFFAOYSA-N
XLogP0.18
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate 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

methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate
CID 58684302
methyl 4-(methylhydrazinylidene)piperidine-1-carboxylate
CID 131203603
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
CID 3915088
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
methyl 4-(2-aminoacetyl)piperidine-1-carboxylate
CID 115006817
methyl 4-[2-(methoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 3693552
ethyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 71434528
2-aminoethyl piperidine-1-carboxylate
CID 58684414
1-[4-[2-(azepan-1-yl)-2-oxoethoxy]iminopiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 60522966
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623661

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate (CID 58685033) is methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate is COC(=O)N1CCC(=NOCCN)CC1.
What is the InChIKey of methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate?
The InChIKey is JAHRYRHFELYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-14-9(13)12-5-2-8(3-6-12)11-15-7-4-10/h2-7,10H2,1H3.
What are the key properties of methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate?
methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate is sourced from PubChem (CID 58685033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).