ethyl 4-formylpiperidine-1-carboxylate

C9H15NO3 — CID 14989210

IUPACethyl 4-formylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C=O)CC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)10-5-3-8(7-11)4-6-10/h7-8H,2-6H2,1H3
InChIKeySNZISULERDBYGD-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.05
Rot. Bonds2

About ethyl 4-formylpiperidine-1-carboxylate

ethyl 4-formylpiperidine-1-carboxylate (PubChem CID 14989210) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 4-formylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-formylpiperidine-1-carboxylate
PubChem CID14989210
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 4-formylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C=O)CC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)10-5-3-8(7-11)4-6-10/h7-8H,2-6H2,1H3
InChIKeySNZISULERDBYGD-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-formylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-formylpiperidine-1-carboxylate (CID 14989210) is ethyl 4-formylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-formylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-formylpiperidine-1-carboxylate is CCOC(=O)N1CCC(C=O)CC1.
What is the InChIKey of ethyl 4-formylpiperidine-1-carboxylate?
The InChIKey is SNZISULERDBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-13-9(12)10-5-3-8(7-11)4-6-10/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-formylpiperidine-1-carboxylate?
ethyl 4-formylpiperidine-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-formylpiperidine-1-carboxylate is sourced from PubChem (CID 14989210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).