ethyl 1-formyloxypiperidine-4-carboxylate

C9H15NO4 — CID 175375218

IUPACethyl 1-formyloxypiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(OC=O)CC1
InChIInChI=1S/C9H15NO4/c1-2-13-9(12)8-3-5-10(6-4-8)14-7-11/h7-8H,2-6H2,1H3
InChIKeyMAIUAYHWGFCFFA-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.35
Rot. Bonds4

About ethyl 1-formyloxypiperidine-4-carboxylate

ethyl 1-formyloxypiperidine-4-carboxylate (PubChem CID 175375218) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 1-formyloxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-formyloxypiperidine-4-carboxylate
PubChem CID175375218
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 1-formyloxypiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(OC=O)CC1
InChIInChI=1S/C9H15NO4/c1-2-13-9(12)8-3-5-10(6-4-8)14-7-11/h7-8H,2-6H2,1H3
InChIKeyMAIUAYHWGFCFFA-UHFFFAOYSA-N
XLogP0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
ethyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 17022443
ethyl 1-(2-oxoethenyl)piperidine-4-carboxylate
CID 141323872
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-cyclobutylpiperidine-4-carboxylate
CID 91436949
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118

Frequently Asked Questions

What is the IUPAC name of ethyl 1-formyloxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-formyloxypiperidine-4-carboxylate (CID 175375218) is ethyl 1-formyloxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-formyloxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-formyloxypiperidine-4-carboxylate is CCOC(=O)C1CCN(OC=O)CC1.
What is the InChIKey of ethyl 1-formyloxypiperidine-4-carboxylate?
The InChIKey is MAIUAYHWGFCFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-13-9(12)8-3-5-10(6-4-8)14-7-11/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 1-formyloxypiperidine-4-carboxylate?
ethyl 1-formyloxypiperidine-4-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-formyloxypiperidine-4-carboxylate is sourced from PubChem (CID 175375218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).