1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid

C17H19N3O2 — CID 5201610

IUPAC1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2cccnc2)c2ccccn2)C1
InChIInChI=1S/C17H19N3O2/c21-17(22)14-6-4-10-20(12-14)16(13-5-3-8-18-11-13)15-7-1-2-9-19-15/h1-3,5,7-9,11,14,16H,4,6,10,12H2,(H,21,22)
InChIKeyMJJLSNXMFFPVLA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.36
Rot. Bonds4

About 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid

1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 5201610) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
PubChem CID5201610
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2cccnc2)c2ccccn2)C1
InChIInChI=1S/C17H19N3O2/c21-17(22)14-6-4-10-20(12-14)16(13-5-3-8-18-11-13)15-7-1-2-9-19-15/h1-3,5,7-9,11,14,16H,4,6,10,12H2,(H,21,22)
InChIKeyMJJLSNXMFFPVLA-UHFFFAOYSA-N
XLogP2.36
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3494421
1-[(4-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4266233
1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4595447
1-[(4-bromophenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3920977
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
1-[(4-methylsulfanylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4271286
1-[naphthalen-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 4562345
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318
1-[furan-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 3632610
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5157264
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
1-[(5-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4299177

Frequently Asked Questions

What is the IUPAC name of 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid (CID 5201610) is 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(c2cccnc2)c2ccccn2)C1.
What is the InChIKey of 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is MJJLSNXMFFPVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(22)14-6-4-10-20(12-14)16(13-5-3-8-18-11-13)15-7-1-2-9-19-15/h1-3,5,7-9,11,14,16H,4,6,10,12H2,(H,21,22).
What are the key properties of 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid?
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 5201610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).