1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde

C14H18FNO — CID 174565611

IUPAC1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde
SMILESCC(c1ccc(F)cc1)N1CCCCC1C=O
InChIInChI=1S/C14H18FNO/c1-11(12-5-7-13(15)8-6-12)16-9-3-2-4-14(16)10-17/h5-8,10-11,14H,2-4,9H2,1H3
InChIKeyVFRJGZKZTPJBPF-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.94
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde

1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde (PubChem CID 174565611) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde
PubChem CID174565611
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde
SMILESCC(c1ccc(F)cc1)N1CCCCC1C=O
InChIInChI=1S/C14H18FNO/c1-11(12-5-7-13(15)8-6-12)16-9-3-2-4-14(16)10-17/h5-8,10-11,14H,2-4,9H2,1H3
InChIKeyVFRJGZKZTPJBPF-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde (CID 174565611) is 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde is CC(c1ccc(F)cc1)N1CCCCC1C=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde?
The InChIKey is VFRJGZKZTPJBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11(12-5-7-13(15)8-6-12)16-9-3-2-4-14(16)10-17/h5-8,10-11,14H,2-4,9H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde?
1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde has a molecular weight of 235.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 174565611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).