4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid

C11H15FN4O2 — CID 22135677

IUPAC4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2ncc(F)cn2)CC1
InChIInChI=1S/C11H15FN4O2/c12-9-6-14-10(15-7-9)13-5-8-1-3-16(4-2-8)11(17)18/h6-8H,1-5H2,(H,17,18)(H,13,14,15)
InChIKeyRODITCQJCJCUNW-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.42
Rot. Bonds3

About 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid

4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 22135677) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID22135677
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2ncc(F)cn2)CC1
InChIInChI=1S/C11H15FN4O2/c12-9-6-14-10(15-7-9)13-5-8-1-3-16(4-2-8)11(17)18/h6-8H,1-5H2,(H,17,18)(H,13,14,15)
InChIKeyRODITCQJCJCUNW-UHFFFAOYSA-N
XLogP1.42
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid (CID 22135677) is 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNc2ncc(F)cn2)CC1.
What is the InChIKey of 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is RODITCQJCJCUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c12-9-6-14-10(15-7-9)13-5-8-1-3-16(4-2-8)11(17)18/h6-8H,1-5H2,(H,17,18)(H,13,14,15).
What are the key properties of 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22135677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).