ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride

C20H24ClFN2O3 — CID 118109731

IUPACethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(-c2ccc(OCC3CCNCC3)cn2)cc1F.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-2-25-20(24)17-5-3-15(11-18(17)21)19-6-4-16(12-23-19)26-13-14-7-9-22-10-8-14;/h3-6,11-12,14,22H,2,7-10,13H2,1H3;1H
InChIKeyHAYBECMUUGORNT-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.86
Rot. Bonds6

About ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride

ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride (PubChem CID 118109731) has the molecular formula C20H24ClFN2O3 and a molecular weight of 394.87 g/mol. Its IUPAC name is ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride
PubChem CID118109731
Molecular FormulaC20H24ClFN2O3
Molecular Weight394.87 g/mol
Exact Mass394.15
IUPAC Nameethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(-c2ccc(OCC3CCNCC3)cn2)cc1F.Cl
InChIInChI=1S/C20H23FN2O3.ClH/c1-2-25-20(24)17-5-3-15(11-18(17)21)19-6-4-16(12-23-19)26-13-14-7-9-22-10-8-14;/h3-6,11-12,14,22H,2,7-10,13H2,1H3;1H
InChIKeyHAYBECMUUGORNT-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]acetaldehyde;hydrochloride
CID 141382248
2-phenyl-5-(piperidin-4-ylmethoxy)pyridine
CID 127025530
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
1-[2-fluoro-4-[5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-pyridinyl]benzoyl]piperidine-4-carboxamide
CID 90016973
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531
[2-fluoro-4-[5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-pyridinyl]phenyl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 90019084
[4-[5-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-2-pyridinyl]-2-fluorophenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 90017668
ethyl 6-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348809
1-[2-fluoro-4-[5-[[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]methoxy]-2-pyridinyl]benzoyl]-2-methylpyrrolidine-2-carboxamide
CID 118109688
ethyl 5-fluoro-2-(4-fluorophenyl)pyridine-4-carboxylate
CID 156896155
propan-2-yl 4-[[6-[4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)-3-fluorophenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 66822079
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride?
The IUPAC name of ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride (CID 118109731) is ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride.
What is the SMILES notation for ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride?
The canonical SMILES for ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride is CCOC(=O)c1ccc(-c2ccc(OCC3CCNCC3)cn2)cc1F.Cl.
What is the InChIKey of ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride?
The InChIKey is HAYBECMUUGORNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3.ClH/c1-2-25-20(24)17-5-3-15(11-18(17)21)19-6-4-16(12-23-19)26-13-14-7-9-22-10-8-14;/h3-6,11-12,14,22H,2,7-10,13H2,1H3;1H.
What are the key properties of ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride?
ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-4-[5-(piperidin-4-ylmethoxy)-2-pyridinyl]benzoate;hydrochloride is sourced from PubChem (CID 118109731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).