ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate

C11H18FNO3 — CID 131996982

IUPACethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate
SMILESCCOC(=O)CCC1(F)CCCN(C=O)C1
InChIInChI=1S/C11H18FNO3/c1-2-16-10(15)4-6-11(12)5-3-7-13(8-11)9-14/h9H,2-8H2,1H3
InChIKeyOEUHXJCASKXGJU-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.29
Rot. Bonds5

About ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate

ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate (PubChem CID 131996982) has the molecular formula C11H18FNO3 and a molecular weight of 231.27 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate
PubChem CID131996982
Molecular FormulaC11H18FNO3
Molecular Weight231.27 g/mol
Exact Mass231.13
IUPAC Nameethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate
SMILESCCOC(=O)CCC1(F)CCCN(C=O)C1
InChIInChI=1S/C11H18FNO3/c1-2-16-10(15)4-6-11(12)5-3-7-13(8-11)9-14/h9H,2-8H2,1H3
InChIKeyOEUHXJCASKXGJU-UHFFFAOYSA-N
XLogP1.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.29
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 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate?
The IUPAC name of ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate (CID 131996982) is ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate is CCOC(=O)CCC1(F)CCCN(C=O)C1.
What is the InChIKey of ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate?
The InChIKey is OEUHXJCASKXGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO3/c1-2-16-10(15)4-6-11(12)5-3-7-13(8-11)9-14/h9H,2-8H2,1H3.
What are the key properties of ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate?
ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate has a molecular weight of 231.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate is sourced from PubChem (CID 131996982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).