ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate

C14H18ClFN2O2 — CID 51060069

IUPACethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(F)c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H18ClFN2O2/c1-2-20-14(19)18-8-6-10(7-9-18)13(16)11-4-3-5-12(15)17-11/h3-5,10,13H,2,6-9H2,1H3
InChIKeyAKGAOOHMTODOMG-UHFFFAOYSA-N
MW300.76 g/mol
LogP3.61
Rot. Bonds3

About ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate

ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate (PubChem CID 51060069) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate
PubChem CID51060069
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Nameethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(F)c2cccc(Cl)n2)CC1
InChIInChI=1S/C14H18ClFN2O2/c1-2-20-14(19)18-8-6-10(7-9-18)13(16)11-4-3-5-12(15)17-11/h3-5,10,13H,2,6-9H2,1H3
InChIKeyAKGAOOHMTODOMG-UHFFFAOYSA-N
XLogP3.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-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 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate (CID 51060069) is ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(F)c2cccc(Cl)n2)CC1.
What is the InChIKey of ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate?
The InChIKey is AKGAOOHMTODOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-2-20-14(19)18-8-6-10(7-9-18)13(16)11-4-3-5-12(15)17-11/h3-5,10,13H,2,6-9H2,1H3.
What are the key properties of ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate?
ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate has a molecular weight of 300.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-chloro-2-pyridinyl)-fluoromethyl]piperidine-1-carboxylate is sourced from PubChem (CID 51060069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).