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

C10H12FN3O — CID 104606641

IUPAC1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O/c11-8-5-12-10(13-6-8)14-4-2-1-3-9(14)7-15/h5-7,9H,1-4H2
InChIKeyPLBAYNRXTKVAIL-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.17
Rot. Bonds2

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

1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde (PubChem CID 104606641) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde
PubChem CID104606641
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O/c11-8-5-12-10(13-6-8)14-4-2-1-3-9(14)7-15/h5-7,9H,1-4H2
InChIKeyPLBAYNRXTKVAIL-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Fluoro-2-pyrimidinyl)-1-piperazinebutanal
CID 15729899
4-(5-Fluoropyrimidin-2-yl)butanal
CID 21919391
1-(5-Fluoropyrimidin-2-yl)piperazine-2-carbaldehyde
CID 22107040
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarbaldehyde
CID 86638747
3-[8-(5-Fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]propanal
CID 123639058
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylpropanamide
CID 132182936
1-[(2-Aminopyrimidin-5-yl)methyl]-4-fluoropiperidine-4-carbaldehyde
CID 142820956
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylformamide
CID 145081266
1-[5-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbaldehyde
CID 167472027
5-Oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]hexanal
CID 172550683
3-Fluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carbaldehyde
CID 175031554
1-(5-Fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
CID 60137811

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde (CID 104606641) is 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde is O=CC1CCCCN1c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde?
The InChIKey is PLBAYNRXTKVAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-8-5-12-10(13-6-8)14-4-2-1-3-9(14)7-15/h5-7,9H,1-4H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde?
1-(5-fluoropyrimidin-2-yl)piperidine-2-carbaldehyde has a molecular weight of 209.22 g/mol, XLogP of 1.17, 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-2-carbaldehyde is sourced from PubChem (CID 104606641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).