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

C13H18N2O3 — CID 106903971

IUPAC6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOC1CCN(Cc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C13H18N2O3/c1-18-11-5-7-15(8-6-11)9-10-3-2-4-12(14-10)13(16)17/h2-4,11H,5-9H2,1H3,(H,16,17)
InChIKeyNNFQJTGYELCZMT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds4

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

6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106903971) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106903971
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOC1CCN(Cc2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C13H18N2O3/c1-18-11-5-7-15(8-6-11)9-10-3-2-4-12(14-10)13(16)17/h2-4,11H,5-9H2,1H3,(H,16,17)
InChIKeyNNFQJTGYELCZMT-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 125445677
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474378
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-[(4-tert-butylazepan-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904201
6-[[(3R)-3-[bis(4-fluorophenyl)methoxy]pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474909
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
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-[[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-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474891

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 106903971) is 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid is COC1CCN(Cc2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is NNFQJTGYELCZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-11-5-7-15(8-6-11)9-10-3-2-4-12(14-10)13(16)17/h2-4,11H,5-9H2,1H3,(H,16,17).
What are the key properties of 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).