6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid

C14H18N2O2 — CID 122057511

IUPAC6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(C3CC3)C2)n1
InChIInChI=1S/C14H18N2O2/c17-14(18)12-4-1-5-13(15-12)16-8-2-3-11(9-16)10-6-7-10/h1,4-5,10-11H,2-3,6-9H2,(H,17,18)
InChIKeyNFFXKFRRCKCXBT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.41
Rot. Bonds3

About 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid

6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 122057511) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID122057511
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCCC(C3CC3)C2)n1
InChIInChI=1S/C14H18N2O2/c17-14(18)12-4-1-5-13(15-12)16-8-2-3-11(9-16)10-6-7-10/h1,4-5,10-11H,2-3,6-9H2,(H,17,18)
InChIKeyNFFXKFRRCKCXBT-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 122057511) is 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCCC(C3CC3)C2)n1.
What is the InChIKey of 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is NFFXKFRRCKCXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)12-4-1-5-13(15-12)16-8-2-3-11(9-16)10-6-7-10/h1,4-5,10-11H,2-3,6-9H2,(H,17,18).
What are the key properties of 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid?
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122057511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).