1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid

C17H19FN4O2 — CID 56875218

IUPAC1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
SMILESNc1nccc(N2CCCC(Cc3ccccc3F)(C(=O)O)C2)n1
InChIInChI=1S/C17H19FN4O2/c18-13-5-2-1-4-12(13)10-17(15(23)24)7-3-9-22(11-17)14-6-8-20-16(19)21-14/h1-2,4-6,8H,3,7,9-11H2,(H,23,24)(H2,19,20,21)
InChIKeyHFPFUSVSYGDAEA-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.11
Rot. Bonds4

About 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid

1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 56875218) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
PubChem CID56875218
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
SMILESNc1nccc(N2CCCC(Cc3ccccc3F)(C(=O)O)C2)n1
InChIInChI=1S/C17H19FN4O2/c18-13-5-2-1-4-12(13)10-17(15(23)24)7-3-9-22(11-17)14-6-8-20-16(19)21-14/h1-2,4-6,8H,3,7,9-11H2,(H,23,24)(H2,19,20,21)
InChIKeyHFPFUSVSYGDAEA-UHFFFAOYSA-N
XLogP2.11
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid (CID 56875218) is 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid is Nc1nccc(N2CCCC(Cc3ccccc3F)(C(=O)O)C2)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is HFPFUSVSYGDAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-5-2-1-4-12(13)10-17(15(23)24)7-3-9-22(11-17)14-6-8-20-16(19)21-14/h1-2,4-6,8H,3,7,9-11H2,(H,23,24)(H2,19,20,21).
What are the key properties of 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56875218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).