2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid

C13H19N3O2 — CID 62689410

IUPAC2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCCc1cc(N2CCCC(CC(=O)O)C2)ncn1
InChIInChI=1S/C13H19N3O2/c1-2-11-7-12(15-9-14-11)16-5-3-4-10(8-16)6-13(17)18/h7,9-10H,2-6,8H2,1H3,(H,17,18)
InChIKeyHSWUGJTXWWRSNE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds4

About 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid

2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid (PubChem CID 62689410) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
PubChem CID62689410
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCCc1cc(N2CCCC(CC(=O)O)C2)ncn1
InChIInChI=1S/C13H19N3O2/c1-2-11-7-12(15-9-14-11)16-5-3-4-10(8-16)6-13(17)18/h7,9-10H,2-6,8H2,1H3,(H,17,18)
InChIKeyHSWUGJTXWWRSNE-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
2-[8-(6-ethylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608471
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66332132
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
4-[3-(2-bromoethyl)piperidin-1-yl]-6-propylpyrimidine
CID 80679760
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 66319441

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid (CID 62689410) is 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid is CCc1cc(N2CCCC(CC(=O)O)C2)ncn1.
What is the InChIKey of 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is HSWUGJTXWWRSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11-7-12(15-9-14-11)16-5-3-4-10(8-16)6-13(17)18/h7,9-10H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).