1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde

C13H15F2NO — CID 105408633

IUPAC1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2NO/c14-11-5-10(6-12(15)7-11)8-16-4-2-1-3-13(16)9-17/h5-7,9,13H,1-4,8H2
InChIKeyOHDMREHOISPEKX-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.52
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde

1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde (PubChem CID 105408633) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde
PubChem CID105408633
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H15F2NO/c14-11-5-10(6-12(15)7-11)8-16-4-2-1-3-13(16)9-17/h5-7,9,13H,1-4,8H2
InChIKeyOHDMREHOISPEKX-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332
1-[(5-bromothiophen-3-yl)methyl]piperidine-2-carbaldehyde
CID 62655513
1-[(3,5-difluorophenyl)methyl]piperidine-4-carbaldehyde
CID 105408634
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656619
1-(2,2-difluoroethyl)azepane-2-carbaldehyde
CID 84663152
3-[3-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 79709395
[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 112645998
1-(2-pyridin-4-ylethyl)piperidine-2-carbaldehyde
CID 62656422
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
[3-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 79710639
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]acetaldehyde
CID 90017877

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde (CID 105408633) is 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde is O=CC1CCCCN1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde?
The InChIKey is OHDMREHOISPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-11-5-10(6-12(15)7-11)8-16-4-2-1-3-13(16)9-17/h5-7,9,13H,1-4,8H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde?
1-[(3,5-difluorophenyl)methyl]piperidine-2-carbaldehyde has a molecular weight of 239.26 g/mol, XLogP of 2.52, 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-2-carbaldehyde is sourced from PubChem (CID 105408633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).