6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid

C15H22N2O3 — CID 122057759

IUPAC6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)C1(CO)CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C15H22N2O3/c1-11(2)15(10-18)7-4-8-17(9-15)13-6-3-5-12(16-13)14(19)20/h3,5-6,11,18H,4,7-10H2,1-2H3,(H,19,20)
InChIKeyNEQCCKIOVPWEDY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.01
Rot. Bonds4

About 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid

6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122057759) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122057759
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(C)C1(CO)CCCN(c2cccc(C(=O)O)n2)C1
InChIInChI=1S/C15H22N2O3/c1-11(2)15(10-18)7-4-8-17(9-15)13-6-3-5-12(16-13)14(19)20/h3,5-6,11,18H,4,7-10H2,1-2H3,(H,19,20)
InChIKeyNEQCCKIOVPWEDY-UHFFFAOYSA-N
XLogP2.01
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid (CID 122057759) is 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid is CC(C)C1(CO)CCCN(c2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is NEQCCKIOVPWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)15(10-18)7-4-8-17(9-15)13-6-3-5-12(16-13)14(19)20/h3,5-6,11,18H,4,7-10H2,1-2H3,(H,19,20).
What are the key properties of 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid?
6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)-3-propan-2-ylpiperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).