3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid

C13H19N3O2 — CID 62218201

IUPAC3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C13H19N3O2/c1-10-8-12(15-9-14-10)16-6-4-11(5-7-16)2-3-13(17)18/h8-9,11H,2-7H2,1H3,(H,17,18)
InChIKeyCRXJTMIRGOGZRL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds4

About 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid

3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 62218201) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
PubChem CID62218201
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
SMILESCc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C13H19N3O2/c1-10-8-12(15-9-14-10)16-6-4-11(5-7-16)2-3-13(17)18/h8-9,11H,2-7H2,1H3,(H,17,18)
InChIKeyCRXJTMIRGOGZRL-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
CID 167574720
2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899457
N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371902
4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166602502
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid (CID 62218201) is 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid is Cc1cc(N2CCC(CCC(=O)O)CC2)ncn1.
What is the InChIKey of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is CRXJTMIRGOGZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-12(15-9-14-10)16-6-4-11(5-7-16)2-3-13(17)18/h8-9,11H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid?
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62218201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).