4-(2-fluorophenyl)piperidine-1-carbaldehyde

C12H14FNO — CID 87956080

IUPAC4-(2-fluorophenyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccccc2F)CC1
InChIInChI=1S/C12H14FNO/c13-12-4-2-1-3-11(12)10-5-7-14(9-15)8-6-10/h1-4,9-10H,5-8H2
InChIKeyIEDMGXPRPDOMHE-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.16
Rot. Bonds2

About 4-(2-fluorophenyl)piperidine-1-carbaldehyde

4-(2-fluorophenyl)piperidine-1-carbaldehyde (PubChem CID 87956080) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(2-fluorophenyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluorophenyl)piperidine-1-carbaldehyde
PubChem CID87956080
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-(2-fluorophenyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(c2ccccc2F)CC1
InChIInChI=1S/C12H14FNO/c13-12-4-2-1-3-11(12)10-5-7-14(9-15)8-6-10/h1-4,9-10H,5-8H2
InChIKeyIEDMGXPRPDOMHE-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2-fluorophenyl)piperidine-1-carbaldehyde (CID 87956080) is 4-(2-fluorophenyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2-fluorophenyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2-fluorophenyl)piperidine-1-carbaldehyde is O=CN1CCC(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)piperidine-1-carbaldehyde?
The InChIKey is IEDMGXPRPDOMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-12-4-2-1-3-11(12)10-5-7-14(9-15)8-6-10/h1-4,9-10H,5-8H2.
What are the key properties of 4-(2-fluorophenyl)piperidine-1-carbaldehyde?
4-(2-fluorophenyl)piperidine-1-carbaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 87956080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).