1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid

C11H15ClN4O3 — CID 63124102

IUPAC1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCOc1nc(Cl)nc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C11H15ClN4O3/c1-11(7(17)18)3-5-16(6-4-11)9-13-8(12)14-10(15-9)19-2/h3-6H2,1-2H3,(H,17,18)
InChIKeyAPFXHVGXYNKCAI-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.22
Rot. Bonds3

About 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124102) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid
PubChem CID63124102
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid
SMILESCOc1nc(Cl)nc(N2CCC(C)(C(=O)O)CC2)n1
InChIInChI=1S/C11H15ClN4O3/c1-11(7(17)18)3-5-16(6-4-11)9-13-8(12)14-10(15-9)19-2/h3-6H2,1-2H3,(H,17,18)
InChIKeyAPFXHVGXYNKCAI-UHFFFAOYSA-N
XLogP1.22
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
1-[4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 55124643
2-chloro-4-methoxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3,5-triazine
CID 107394056
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321034
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-dimethylmorpholine
CID 55124122
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776654
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310124
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
CID 107405815
2-chloro-4-methoxy-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3,5-triazine
CID 62970401
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160419

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid (CID 63124102) is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid is COc1nc(Cl)nc(N2CCC(C)(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is APFXHVGXYNKCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c1-11(7(17)18)3-5-16(6-4-11)9-13-8(12)14-10(15-9)19-2/h3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid?
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).