2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid

C11H15N3O2 — CID 61403945

IUPAC2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
SMILESNC1CCCN(c2ncccc2C(=O)O)C1
InChIInChI=1S/C11H15N3O2/c12-8-3-2-6-14(7-8)10-9(11(15)16)4-1-5-13-10/h1,4-5,8H,2-3,6-7,12H2,(H,15,16)
InChIKeyICCOBVZUGDNODW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.71
Rot. Bonds2

About 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid

2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 61403945) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID61403945
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
SMILESNC1CCCN(c2ncccc2C(=O)O)C1
InChIInChI=1S/C11H15N3O2/c12-8-3-2-6-14(7-8)10-9(11(15)16)4-1-5-13-10/h1,4-5,8H,2-3,6-7,12H2,(H,15,16)
InChIKeyICCOBVZUGDNODW-UHFFFAOYSA-N
XLogP0.71
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
1-(3-methyl-2-pyridinyl)piperidin-3-amine
CID 62253167
2-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496225
2-[(3S)-3-(fluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129496223
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129499940
2-[3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121201168
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid (CID 61403945) is 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid is NC1CCCN(c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ICCOBVZUGDNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-8-3-2-6-14(7-8)10-9(11(15)16)4-1-5-13-10/h1,4-5,8H,2-3,6-7,12H2,(H,15,16).
What are the key properties of 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid?
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 61403945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).