1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid

C14H21N3O2 — CID 55165505

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C14H21N3O2/c1-4-14(13(18)19)6-5-7-17(9-14)12-8-10(2)15-11(3)16-12/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyZYZZFXXYSQMXHC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds3

About 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid

1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 55165505) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID55165505
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C14H21N3O2/c1-4-14(13(18)19)6-5-7-17(9-14)12-8-10(2)15-11(3)16-12/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyZYZZFXXYSQMXHC-UHFFFAOYSA-N
XLogP2.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid (CID 55165505) is 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2cc(C)nc(C)n2)C1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is ZYZZFXXYSQMXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-14(13(18)19)6-5-7-17(9-14)12-8-10(2)15-11(3)16-12/h8H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid?
1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55165505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).