5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid

C12H16N2O2 — CID 115032031

IUPAC5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
SMILESCN1CCCC(c2cncc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O2/c1-14-4-2-3-9(8-14)10-5-11(12(15)16)7-13-6-10/h5-7,9H,2-4,8H2,1H3,(H,15,16)
InChIKeyKIGALBQPLAKDEK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.59
Rot. Bonds2

About 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid

5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid (PubChem CID 115032031) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
PubChem CID115032031
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid
SMILESCN1CCCC(c2cncc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O2/c1-14-4-2-3-9(8-14)10-5-11(12(15)16)7-13-6-10/h5-7,9H,2-4,8H2,1H3,(H,15,16)
InChIKeyKIGALBQPLAKDEK-UHFFFAOYSA-N
XLogP1.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methylpiperidin-3-yl)pyridin-3-amine
CID 115018770
5-(thian-4-yl)pyridine-3-carboxylic acid
CID 115034062
3-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 22856989
3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988205
5-(oxan-2-yl)pyridine-3-carboxylic acid
CID 115025090
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
4-(1-methylazepan-4-yl)benzoic acid
CID 83841215
4-[(3R)-1-methylpiperidin-3-yl]benzene-1,2-diol
CID 92966347
ethane;3-(1-methylpiperidin-4-yl)-5-prop-1-en-2-ylpyridine
CID 171624231
[4-(1-methylpiperidin-3-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 110271497
(1-methylpiperidin-3-yl) 5-bromopyridine-3-carboxylate
CID 4145883

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid (CID 115032031) is 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid is CN1CCCC(c2cncc(C(=O)O)c2)C1.
What is the InChIKey of 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid?
The InChIKey is KIGALBQPLAKDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-4-2-3-9(8-14)10-5-11(12(15)16)7-13-6-10/h5-7,9H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid?
5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115032031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).