ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate

C11H20FNO2 — CID 81113197

IUPACethyl 1-(3-fluoropropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCF)CC1
InChIInChI=1S/C11H20FNO2/c1-2-15-11(14)10-4-8-13(9-5-10)7-3-6-12/h10H,2-9H2,1H3
InChIKeyUXCHANNBFQMLSK-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.62
Rot. Bonds5

About ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate

ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate (PubChem CID 81113197) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluoropropyl)piperidine-4-carboxylate
PubChem CID81113197
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nameethyl 1-(3-fluoropropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCF)CC1
InChIInChI=1S/C11H20FNO2/c1-2-15-11(14)10-4-8-13(9-5-10)7-3-6-12/h10H,2-9H2,1H3
InChIKeyUXCHANNBFQMLSK-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate (CID 81113197) is ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCCF)CC1.
What is the InChIKey of ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate?
The InChIKey is UXCHANNBFQMLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-2-15-11(14)10-4-8-13(9-5-10)7-3-6-12/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate?
ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate has a molecular weight of 217.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-fluoropropyl)piperidine-4-carboxylate is sourced from PubChem (CID 81113197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).