6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

C14H20N2O2 — CID 106904146

IUPAC6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1(C)CCN(Cc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H20N2O2/c1-14(2)6-8-16(9-7-14)10-11-4-3-5-12(15-11)13(17)18/h3-5H,6-10H2,1-2H3,(H,17,18)
InChIKeyLRCGIYBRFDSYNX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.40
Rot. Bonds3

About 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106904146) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106904146
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1(C)CCN(Cc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C14H20N2O2/c1-14(2)6-8-16(9-7-14)10-11-4-3-5-12(15-11)13(17)18/h3-5H,6-10H2,1-2H3,(H,17,18)
InChIKeyLRCGIYBRFDSYNX-UHFFFAOYSA-N
XLogP2.40
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4,4-dimethylpiperidin-1-yl)methyl]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

Related Compounds

6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid
CID 122558950
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
CID 166147362
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234596
6-[[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
CID 166721505
6-[[14-[(6-carboxy-2-pyridinyl)methyl]-20,20-dimethyl-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.4.0]docosan-5-yl]methyl]pyridine-2-carboxylic acid;ethane;(2Z,4Z)-hexa-2,4-diene
CID 164598822
6-[(2,2,4-trimethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904239

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 106904146) is 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is CC1(C)CCN(Cc2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is LRCGIYBRFDSYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)6-8-16(9-7-14)10-11-4-3-5-12(15-11)13(17)18/h3-5H,6-10H2,1-2H3,(H,17,18).
What are the key properties of 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).