2-(4-fluorophenyl)-3-piperidin-4-ylpropanal

C14H18FNO — CID 174511316

IUPAC2-(4-fluorophenyl)-3-piperidin-4-ylpropanal
SMILESO=CC(CC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c15-14-3-1-12(2-4-14)13(10-17)9-11-5-7-16-8-6-11/h1-4,10-11,13,16H,5-9H2
InChIKeyYLLJDWZHTIAXRB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal

2-(4-fluorophenyl)-3-piperidin-4-ylpropanal (PubChem CID 174511316) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-piperidin-4-ylpropanal
PubChem CID174511316
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-(4-fluorophenyl)-3-piperidin-4-ylpropanal
SMILESO=CC(CC1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO/c15-14-3-1-12(2-4-14)13(10-17)9-11-5-7-16-8-6-11/h1-4,10-11,13,16H,5-9H2
InChIKeyYLLJDWZHTIAXRB-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal?
The IUPAC name of 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal (CID 174511316) is 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal.
What is the SMILES notation for 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal?
The canonical SMILES for 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal is O=CC(CC1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal?
The InChIKey is YLLJDWZHTIAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14-3-1-12(2-4-14)13(10-17)9-11-5-7-16-8-6-11/h1-4,10-11,13,16H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal?
2-(4-fluorophenyl)-3-piperidin-4-ylpropanal has a molecular weight of 235.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-piperidin-4-ylpropanal is sourced from PubChem (CID 174511316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).