ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate

C11H20FNO2 — CID 67986560

IUPACethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(F)CCCN(C(C)C)C1
InChIInChI=1S/C11H20FNO2/c1-4-15-10(14)11(12)6-5-7-13(8-11)9(2)3/h9H,4-8H2,1-3H3
InChIKeyUHSWDAKKZKBGST-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.76
Rot. Bonds3

About ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate

ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate (PubChem CID 67986560) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate
PubChem CID67986560
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nameethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1(F)CCCN(C(C)C)C1
InChIInChI=1S/C11H20FNO2/c1-4-15-10(14)11(12)6-5-7-13(8-11)9(2)3/h9H,4-8H2,1-3H3
InChIKeyUHSWDAKKZKBGST-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate?
The IUPAC name of ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate (CID 67986560) is ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate is CCOC(=O)C1(F)CCCN(C(C)C)C1.
What is the InChIKey of ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate?
The InChIKey is UHSWDAKKZKBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-4-15-10(14)11(12)6-5-7-13(8-11)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate?
ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate has a molecular weight of 217.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 67986560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).