2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid

C14H21N3O2 — CID 60965985

IUPAC2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-16(2)10-11-5-8-17(9-6-11)13-12(14(18)19)4-3-7-15-13/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,18,19)
InChIKeyMBJJYDXVHZUTRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid

2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 60965985) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID60965985
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CCN(c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-16(2)10-11-5-8-17(9-6-11)13-12(14(18)19)4-3-7-15-13/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,18,19)
InChIKeyMBJJYDXVHZUTRP-UHFFFAOYSA-N
XLogP1.56
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 63380022
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-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
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-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 60965985) is 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is CN(C)CC1CCN(c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MBJJYDXVHZUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)10-11-5-8-17(9-6-11)13-12(14(18)19)4-3-7-15-13/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 60965985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).