1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid

C11H11FN4O2 — CID 166099851

IUPAC1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESN#Cc1cc(N2CCC(F)(C(=O)O)CC2)ncn1
InChIInChI=1S/C11H11FN4O2/c12-11(10(17)18)1-3-16(4-2-11)9-5-8(6-13)14-7-15-9/h5,7H,1-4H2,(H,17,18)
InChIKeyGLXCYUUAJGEKBA-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.74
Rot. Bonds2

About 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid

1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid (PubChem CID 166099851) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid
PubChem CID166099851
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESN#Cc1cc(N2CCC(F)(C(=O)O)CC2)ncn1
InChIInChI=1S/C11H11FN4O2/c12-11(10(17)18)1-3-16(4-2-11)9-5-8(6-13)14-7-15-9/h5,7H,1-4H2,(H,17,18)
InChIKeyGLXCYUUAJGEKBA-UHFFFAOYSA-N
XLogP0.74
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid (CID 166099851) is 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid is N#Cc1cc(N2CCC(F)(C(=O)O)CC2)ncn1.
What is the InChIKey of 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid?
The InChIKey is GLXCYUUAJGEKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-11(10(17)18)1-3-16(4-2-11)9-5-8(6-13)14-7-15-9/h5,7H,1-4H2,(H,17,18).
What are the key properties of 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid?
1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyanopyrimidin-4-yl)-4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 166099851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).