1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid

C14H18N2O4 — CID 115918772

IUPAC1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
SMILESCc1cccc(CN2CCC(C(=O)O)C(C(=O)O)C2)n1
InChIInChI=1S/C14H18N2O4/c1-9-3-2-4-10(15-9)7-16-6-5-11(13(17)18)12(8-16)14(19)20/h2-4,11-12H,5-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyCQWWLTHCHIWADN-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.00
Rot. Bonds4

About 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid

1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid (PubChem CID 115918772) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
PubChem CID115918772
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
SMILESCc1cccc(CN2CCC(C(=O)O)C(C(=O)O)C2)n1
InChIInChI=1S/C14H18N2O4/c1-9-3-2-4-10(15-9)7-16-6-5-11(13(17)18)12(8-16)14(19)20/h2-4,11-12H,5-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyCQWWLTHCHIWADN-UHFFFAOYSA-N
XLogP1.00
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 79260870
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 102785835
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
(6S)-1-benzyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-6-ol
CID 97285618
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512310
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769
1-[(2-bromo-3-fluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918814
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
(3R,4R)-4-hydroxy-3-(3-methylbutyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 163316724
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79266938

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid (CID 115918772) is 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid is Cc1cccc(CN2CCC(C(=O)O)C(C(=O)O)C2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is CQWWLTHCHIWADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-3-2-4-10(15-9)7-16-6-5-11(13(17)18)12(8-16)14(19)20/h2-4,11-12H,5-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid?
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).