2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C20H24N2O3 — CID 50969668

IUPAC2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCCC1CCc1cccc(O)c1
InChIInChI=1S/C20H24N2O3/c23-17-7-3-5-15(13-17)9-10-16-6-1-2-12-22(16)14-19-18(20(24)25)8-4-11-21-19/h3-5,7-8,11,13,16,23H,1-2,6,9-10,12,14H2,(H,24,25)
InChIKeyUTAAXFQUQFUDCP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.47
Rot. Bonds6

About 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 50969668) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID50969668
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCCC1CCc1cccc(O)c1
InChIInChI=1S/C20H24N2O3/c23-17-7-3-5-15(13-17)9-10-16-6-1-2-12-22(16)14-19-18(20(24)25)8-4-11-21-19/h3-5,7-8,11,13,16,23H,1-2,6,9-10,12,14H2,(H,24,25)
InChIKeyUTAAXFQUQFUDCP-UHFFFAOYSA-N
XLogP3.47
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 50969668) is 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCCCC1CCc1cccc(O)c1.
What is the InChIKey of 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is UTAAXFQUQFUDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-17-7-3-5-15(13-17)9-10-16-6-1-2-12-22(16)14-19-18(20(24)25)8-4-11-21-19/h3-5,7-8,11,13,16,23H,1-2,6,9-10,12,14H2,(H,24,25).
What are the key properties of 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50969668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).