2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid

C17H18FN3O2 — CID 42669995

IUPAC2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCC1CCN(c2nc(-c3ccc(F)cc3)ncc2C(=O)O)CC1
InChIInChI=1S/C17H18FN3O2/c1-11-6-8-21(9-7-11)16-14(17(22)23)10-19-15(20-16)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyOMWSXMMVFLYZCL-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid

2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 42669995) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID42669995
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
SMILESCC1CCN(c2nc(-c3ccc(F)cc3)ncc2C(=O)O)CC1
InChIInChI=1S/C17H18FN3O2/c1-11-6-8-21(9-7-11)16-14(17(22)23)10-19-15(20-16)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,22,23)
InChIKeyOMWSXMMVFLYZCL-UHFFFAOYSA-N
XLogP3.22
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid (CID 42669995) is 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid is CC1CCN(c2nc(-c3ccc(F)cc3)ncc2C(=O)O)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is OMWSXMMVFLYZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-6-8-21(9-7-11)16-14(17(22)23)10-19-15(20-16)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid?
2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 42669995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).