2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

C19H23N3O2 — CID 50974217

IUPAC2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCCC1CCc1ccccn1
InChIInChI=1S/C19H23N3O2/c23-19(24)17-8-5-12-21-18(17)14-22-13-4-2-7-16(22)10-9-15-6-1-3-11-20-15/h1,3,5-6,8,11-12,16H,2,4,7,9-10,13-14H2,(H,23,24)
InChIKeyAXBXKEVYRKJZAJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.16
Rot. Bonds6

About 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid

2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 50974217) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
PubChem CID50974217
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CN1CCCCC1CCc1ccccn1
InChIInChI=1S/C19H23N3O2/c23-19(24)17-8-5-12-21-18(17)14-22-13-4-2-7-16(22)10-9-15-6-1-3-11-20-15/h1,3,5-6,8,11-12,16H,2,4,7,9-10,13-14H2,(H,23,24)
InChIKeyAXBXKEVYRKJZAJ-UHFFFAOYSA-N
XLogP3.16
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid (CID 50974217) is 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CN1CCCCC1CCc1ccccn1.
What is the InChIKey of 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is AXBXKEVYRKJZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(24)17-8-5-12-21-18(17)14-22-13-4-2-7-16(22)10-9-15-6-1-3-11-20-15/h1,3,5-6,8,11-12,16H,2,4,7,9-10,13-14H2,(H,23,24).
What are the key properties of 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid?
2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50974217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).