1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde

C13H15F2NO — CID 105408634

IUPAC1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H15F2NO/c14-12-5-11(6-13(15)7-12)8-16-3-1-10(9-17)2-4-16/h5-7,9-10H,1-4,8H2
InChIKeyDCWQMSSTCNVDAZ-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.38
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde

1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde (PubChem CID 105408634) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
PubChem CID105408634
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H15F2NO/c14-12-5-11(6-13(15)7-12)8-16-3-1-10(9-17)2-4-16/h5-7,9-10H,1-4,8H2
InChIKeyDCWQMSSTCNVDAZ-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3,5-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 162490790
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
5-fluoro-2-[(4-formylpiperidin-1-yl)methyl]benzonitrile
CID 55170778
1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde
CID 105408633
1-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62655732
1-(1,2-oxazol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62654833
1-[(3,5-difluorophenyl)methyl]piperidin-4-one
CID 23218606
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]acetaldehyde
CID 90017877
1-[(4-bromo-2,6-dimethylphenyl)methyl]piperidine-4-carbaldehyde
CID 166534814
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]piperidine-4-carbaldehyde
CID 62655377
1-[(3,5-difluorophenyl)methyl]piperidine-4-carboximidamide
CID 105403809

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde (CID 105408634) is 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde is O=CC1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde?
The InChIKey is DCWQMSSTCNVDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-12-5-11(6-13(15)7-12)8-16-3-1-10(9-17)2-4-16/h5-7,9-10H,1-4,8H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde?
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde has a molecular weight of 239.26 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-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 105408634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).