2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid

C13H19N3O2 — CID 115529605

IUPAC2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
SMILESCc1nccc(CN2CCCCC2CC(=O)O)n1
InChIInChI=1S/C13H19N3O2/c1-10-14-6-5-11(15-10)9-16-7-3-2-4-12(16)8-13(17)18/h5-6,12H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyCFXBEPUKYFJTMJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds4

About 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid

2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid (PubChem CID 115529605) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
PubChem CID115529605
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
SMILESCc1nccc(CN2CCCCC2CC(=O)O)n1
InChIInChI=1S/C13H19N3O2/c1-10-14-6-5-11(15-10)9-16-7-3-2-4-12(16)8-13(17)18/h5-6,12H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyCFXBEPUKYFJTMJ-UHFFFAOYSA-N
XLogP1.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 113328848
[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529748
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
CID 61010277
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
CID 62771827

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid (CID 115529605) is 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid is Cc1nccc(CN2CCCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is CFXBEPUKYFJTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-14-6-5-11(15-10)9-16-7-3-2-4-12(16)8-13(17)18/h5-6,12H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 115529605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).