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

C13H18FN3O2 — CID 130280070

IUPACethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-19-13(18)9-3-5-17(6-4-9)12-10(14)7-16-8-11(12)15/h7-9H,2-6,15H2,1H3
InChIKeyNVQHXGRGCNHKJE-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.58
Rot. Bonds3

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

ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate (PubChem CID 130280070) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
PubChem CID130280070
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Nameethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C13H18FN3O2/c1-2-19-13(18)9-3-5-17(6-4-9)12-10(14)7-16-8-11(12)15/h7-9H,2-6,15H2,1H3
InChIKeyNVQHXGRGCNHKJE-UHFFFAOYSA-N
XLogP1.58
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate (CID 130280070) is ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2c(N)cncc2F)CC1.
What is the InChIKey of ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
The InChIKey is NVQHXGRGCNHKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-19-13(18)9-3-5-17(6-4-9)12-10(14)7-16-8-11(12)15/h7-9H,2-6,15H2,1H3.
What are the key properties of ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate has a molecular weight of 267.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-5-fluoro-4-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 130280070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).