1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid

C11H14BrN3O2 — CID 122106508

IUPAC1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ncc(Br)cn2)C1
InChIInChI=1S/C11H14BrN3O2/c1-7-2-8(10(16)17)6-15(5-7)11-13-3-9(12)4-14-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyRTWDINSEXHPEND-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.79
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid

1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122106508) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122106508
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(c2ncc(Br)cn2)C1
InChIInChI=1S/C11H14BrN3O2/c1-7-2-8(10(16)17)6-15(5-7)11-13-3-9(12)4-14-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyRTWDINSEXHPEND-UHFFFAOYSA-N
XLogP1.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(5-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 122106606
1-(4,5-dimethylpyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106616
1-(5-bromopyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 120964054
5-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106877
5-methyl-1-(5-sulfamoyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 122106742
1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122106469
1-(3-bromo-4-methyl-5-nitro-2-pyridinyl)-5-methylpiperidine-3-carboxylic acid
CID 122106600
1-(6-bromopyrazolo[1,5-a]pyrimidine-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117097
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
1-(5-bromopyrimidin-2-yl)-N-(2,2-difluoroethyl)azetidine-3-carboxamide
CID 175648192
1-(5-bromopyrimidin-2-yl)azetidin-3-amine
CID 63873842

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid (CID 122106508) is 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(c2ncc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is RTWDINSEXHPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7-2-8(10(16)17)6-15(5-7)11-13-3-9(12)4-14-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid?
1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 300.16 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122106508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).