methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate

C18H19FN2O3 — CID 70770424

IUPACmethyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H19FN2O3/c1-23-18(22)16-6-3-9-20-17(16)21-10-7-14(8-11-21)24-15-5-2-4-13(19)12-15/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeyYQIHJLNJCBCCFT-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate

methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 70770424) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID70770424
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Namemethyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C18H19FN2O3/c1-23-18(22)16-6-3-9-20-17(16)21-10-7-14(8-11-21)24-15-5-2-4-13(19)12-15/h2-6,9,12,14H,7-8,10-11H2,1H3
InChIKeyYQIHJLNJCBCCFT-UHFFFAOYSA-N
XLogP3.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate (CID 70770424) is methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is YQIHJLNJCBCCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-23-18(22)16-6-3-9-20-17(16)21-10-7-14(8-11-21)24-15-5-2-4-13(19)12-15/h2-6,9,12,14H,7-8,10-11H2,1H3.
What are the key properties of methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate?
methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 70770424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).