1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde

C10H12FN3O — CID 86638747

IUPAC1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3O/c11-9-5-12-10(13-6-9)14-3-1-8(7-15)2-4-14/h5-8H,1-4H2
InChIKeyKZBUJMYKYZHUET-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.03
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde

1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde (PubChem CID 86638747) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde
PubChem CID86638747
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H12FN3O/c11-9-5-12-10(13-6-9)14-3-1-8(7-15)2-4-14/h5-8H,1-4H2
InChIKeyKZBUJMYKYZHUET-UHFFFAOYSA-N
XLogP1.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde (CID 86638747) is 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde is O=CC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde?
The InChIKey is KZBUJMYKYZHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-9-5-12-10(13-6-9)14-3-1-8(7-15)2-4-14/h5-8H,1-4H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde?
1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde has a molecular weight of 209.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 86638747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).