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

C20H24N2O3 — CID 50950341

IUPAC2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c23-19(13-15-5-2-1-3-6-15)16-8-11-22(12-9-16)14-18-17(20(24)25)7-4-10-21-18/h1-7,10,16,19,23H,8-9,11-14H2,(H,24,25)
InChIKeyNJACPIZEYLJXJN-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.60
Rot. Bonds6

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

2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 50950341) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID50950341
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c23-19(13-15-5-2-1-3-6-15)16-8-11-22(12-9-16)14-18-17(20(24)25)7-4-10-21-18/h1-7,10,16,19,23H,8-9,11-14H2,(H,24,25)
InChIKeyNJACPIZEYLJXJN-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 50950341) is 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCC(C(O)Cc2ccccc2)CC1.
What is the InChIKey of 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is NJACPIZEYLJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(13-15-5-2-1-3-6-15)16-8-11-22(12-9-16)14-18-17(20(24)25)7-4-10-21-18/h1-7,10,16,19,23H,8-9,11-14H2,(H,24,25).
What are the key properties of 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50950341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).