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

C13H16FNO — CID 62655334

IUPAC1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c14-12-6-4-11(5-7-12)9-15-8-2-1-3-13(15)10-16/h4-7,10,13H,1-3,8-9H2
InChIKeyHHJIXKHJCJITIP-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.38
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde (PubChem CID 62655334) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde
PubChem CID62655334
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c14-12-6-4-11(5-7-12)9-15-8-2-1-3-13(15)10-16/h4-7,10,13H,1-3,8-9H2
InChIKeyHHJIXKHJCJITIP-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde (CID 62655334) is 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde is O=CC1CCCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde?
The InChIKey is HHJIXKHJCJITIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-12-6-4-11(5-7-12)9-15-8-2-1-3-13(15)10-16/h4-7,10,13H,1-3,8-9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde?
1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62655334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).