ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate

C14H19FN2O2 — CID 68688769

IUPACethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(F)cc2C)CC1
InChIInChI=1S/C14H19FN2O2/c1-3-19-14(18)11-4-6-17(7-5-11)13-10(2)8-12(15)9-16-13/h8-9,11H,3-7H2,1-2H3
InChIKeyVOIXVXMBMRXQLE-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.31
Rot. Bonds3

About ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate

ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 68688769) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID68688769
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Nameethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(F)cc2C)CC1
InChIInChI=1S/C14H19FN2O2/c1-3-19-14(18)11-4-6-17(7-5-11)13-10(2)8-12(15)9-16-13/h8-9,11H,3-7H2,1-2H3
InChIKeyVOIXVXMBMRXQLE-UHFFFAOYSA-N
XLogP2.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate (CID 68688769) is ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(F)cc2C)CC1.
What is the InChIKey of ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is VOIXVXMBMRXQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-19-14(18)11-4-6-17(7-5-11)13-10(2)8-12(15)9-16-13/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 68688769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).