methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate

C10H19N3O3 — CID 58684302

IUPACmethyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=NOCCCN)CC1
InChIInChI=1S/C10H19N3O3/c1-15-10(14)13-6-3-9(4-7-13)12-16-8-2-5-11/h2-8,11H2,1H3
InChIKeyFQKCBPMJTDAOMN-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.57
Rot. Bonds4

About methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate

methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate (PubChem CID 58684302) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate
PubChem CID58684302
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Namemethyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(=NOCCCN)CC1
InChIInChI=1S/C10H19N3O3/c1-15-10(14)13-6-3-9(4-7-13)12-16-8-2-5-11/h2-8,11H2,1H3
InChIKeyFQKCBPMJTDAOMN-UHFFFAOYSA-N
XLogP0.57
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.57
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate (CID 58684302) is methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate is COC(=O)N1CCC(=NOCCCN)CC1.
What is the InChIKey of methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate?
The InChIKey is FQKCBPMJTDAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-15-10(14)13-6-3-9(4-7-13)12-16-8-2-5-11/h2-8,11H2,1H3.
What are the key properties of methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate?
methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-aminopropoxyimino)piperidine-1-carboxylate is sourced from PubChem (CID 58684302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).