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

C14H21N3O2 — CID 81244824

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14(18)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPOEDWIDRFIAEOI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds4

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

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 81244824) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID81244824
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)CC1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14(18)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPOEDWIDRFIAEOI-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 81244824) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is CN(C)CC1CCN(c2ccncc2C(=O)O)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is POEDWIDRFIAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)10-11-4-7-17(8-5-11)13-3-6-15-9-12(13)14(18)19/h3,6,9,11H,4-5,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid?
4-[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 4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).