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

C18H19FN2O3 — CID 50963396

IUPAC2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O3/c19-13-5-7-14(8-6-13)24-15-3-2-10-21(11-15)12-17-16(18(22)23)4-1-9-20-17/h1,4-9,15H,2-3,10-12H2,(H,22,23)
InChIKeyHZOKNDSKQNWBMN-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.96
Rot. Bonds5

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

2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 50963396) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID50963396
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O3/c19-13-5-7-14(8-6-13)24-15-3-2-10-21(11-15)12-17-16(18(22)23)4-1-9-20-17/h1,4-9,15H,2-3,10-12H2,(H,22,23)
InChIKeyHZOKNDSKQNWBMN-UHFFFAOYSA-N
XLogP2.96
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 50963396) is 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCCC(Oc2ccc(F)cc2)C1.
What is the InChIKey of 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is HZOKNDSKQNWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-5-7-14(8-6-13)24-15-3-2-10-21(11-15)12-17-16(18(22)23)4-1-9-20-17/h1,4-9,15H,2-3,10-12H2,(H,22,23).
What are the key properties of 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50963396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).