2-(4-formylpiperidin-1-yl)ethyl formate

C9H15NO3 — CID 174570080

IUPAC2-(4-formylpiperidin-1-yl)ethyl formate
SMILESO=COCCN1CCC(C=O)CC1
InChIInChI=1S/C9H15NO3/c11-7-9-1-3-10(4-2-9)5-6-13-8-12/h7-9H,1-6H2
InChIKeyPNBSXSJYZRTAFX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.07
Rot. Bonds5

About 2-(4-formylpiperidin-1-yl)ethyl formate

2-(4-formylpiperidin-1-yl)ethyl formate (PubChem CID 174570080) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)ethyl formate
PubChem CID174570080
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(4-formylpiperidin-1-yl)ethyl formate
SMILESO=COCCN1CCC(C=O)CC1
InChIInChI=1S/C9H15NO3/c11-7-9-1-3-10(4-2-9)5-6-13-8-12/h7-9H,1-6H2
InChIKeyPNBSXSJYZRTAFX-UHFFFAOYSA-N
XLogP0.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperidin-1-yl)ethyl formate?
The IUPAC name of 2-(4-formylpiperidin-1-yl)ethyl formate (CID 174570080) is 2-(4-formylpiperidin-1-yl)ethyl formate.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)ethyl formate?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)ethyl formate is O=COCCN1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)ethyl formate?
The InChIKey is PNBSXSJYZRTAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-9-1-3-10(4-2-9)5-6-13-8-12/h7-9H,1-6H2.
What are the key properties of 2-(4-formylpiperidin-1-yl)ethyl formate?
2-(4-formylpiperidin-1-yl)ethyl formate has a molecular weight of 185.22 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperidin-1-yl)ethyl formate is sourced from PubChem (CID 174570080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).