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

C18H19FN2O3 — CID 146093083

IUPAC2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O3/c19-13-3-5-14(6-4-13)24-15-7-10-21(11-8-15)12-17-16(18(22)23)2-1-9-20-17/h1-6,9,15H,7-8,10-12H2,(H,22,23)
InChIKeyADNZBVOAPVXDLO-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.96
Rot. Bonds5

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

2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 146093083) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID146093083
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN2O3/c19-13-3-5-14(6-4-13)24-15-7-10-21(11-8-15)12-17-16(18(22)23)2-1-9-20-17/h1-6,9,15H,7-8,10-12H2,(H,22,23)
InChIKeyADNZBVOAPVXDLO-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-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 146093083) is 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is ADNZBVOAPVXDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-13-3-5-14(6-4-13)24-15-7-10-21(11-8-15)12-17-16(18(22)23)2-1-9-20-17/h1-6,9,15H,7-8,10-12H2,(H,22,23).
What are the key properties of 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[4-(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-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146093083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).