1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde

C13H16FNO — CID 174766208

IUPAC1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(F)c2ccccc2)CC1
InChIInChI=1S/C13H16FNO/c14-13(12-4-2-1-3-5-12)15-8-6-11(10-16)7-9-15/h1-5,10-11,13H,6-9H2
InChIKeySBTXHOCYQOVQLG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.57
Rot. Bonds3

About 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde

1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde (PubChem CID 174766208) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde
PubChem CID174766208
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(C(F)c2ccccc2)CC1
InChIInChI=1S/C13H16FNO/c14-13(12-4-2-1-3-5-12)15-8-6-11(10-16)7-9-15/h1-5,10-11,13H,6-9H2
InChIKeySBTXHOCYQOVQLG-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde (CID 174766208) is 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde is O=CC1CCN(C(F)c2ccccc2)CC1.
What is the InChIKey of 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde?
The InChIKey is SBTXHOCYQOVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-13(12-4-2-1-3-5-12)15-8-6-11(10-16)7-9-15/h1-5,10-11,13H,6-9H2.
What are the key properties of 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde?
1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde has a molecular weight of 221.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(phenyl)methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 174766208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).