1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid

C10H12FN3O2 — CID 162376335

IUPAC1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C10H12FN3O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-7H,1-4H2,(H,15,16)
InChIKeySJEHCDTWVHQGCO-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.92
Rot. Bonds2

About 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid

1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 162376335) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID162376335
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C10H12FN3O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-7H,1-4H2,(H,15,16)
InChIKeySJEHCDTWVHQGCO-UHFFFAOYSA-N
XLogP0.92
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid (CID 162376335) is 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(F)ncn2)CC1.
What is the InChIKey of 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is SJEHCDTWVHQGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-8-5-9(13-6-12-8)14-3-1-7(2-4-14)10(15)16/h5-7H,1-4H2,(H,15,16).
What are the key properties of 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 162376335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).