4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde

C8H13F2NO — CID 84767289

IUPAC4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(C(F)F)CC1
InChIInChI=1S/C8H13F2NO/c1-11-4-2-8(6-12,3-5-11)7(9)10/h6-7H,2-5H2,1H3
InChIKeyDFMZOMHVQHICBU-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds2

About 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde

4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde (PubChem CID 84767289) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde
PubChem CID84767289
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde
SMILESCN1CCC(C=O)(C(F)F)CC1
InChIInChI=1S/C8H13F2NO/c1-11-4-2-8(6-12,3-5-11)7(9)10/h6-7H,2-5H2,1H3
InChIKeyDFMZOMHVQHICBU-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.16
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-Ethylpiperidine-4-carbaldehyde
CID 20613249
1-(2,2-Dimethylpropyl)piperidine-4-carbaldehyde
CID 59337716
1-(2,2,2-Trifluoroethyl)piperidine-4-carbaldehyde
CID 62654280
1-(Difluoromethyl)piperidine-4-carbaldehyde
CID 62656642
1-(3,3,3-Trifluoropropyl)piperidine-4-carbaldehyde
CID 64566362
1-(2,2-Difluoropropyl)piperidine-4-carbaldehyde
CID 84663158
3-(4,4-Difluoropiperidin-1-yl)-2,2-dimethylpropanal
CID 89355852
4-Fluoro-1-methylpiperidine-4-carbaldehyde
CID 117889591
1-(Trifluoromethyl)piperidine-4-carbaldehyde
CID 118903174
1-Tert-butyl-4-fluoropiperidine-4-carbaldehyde
CID 122641096
4-(4,4-Difluoropiperidin-1-yl)-2-methylbutanal
CID 138474566
1-Fluoro-4-methylpiperidine-4-carbaldehyde
CID 141361502

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde?
The IUPAC name of 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde (CID 84767289) is 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde is CN1CCC(C=O)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde?
The InChIKey is DFMZOMHVQHICBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-11-4-2-8(6-12,3-5-11)7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde?
4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde has a molecular weight of 177.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 84767289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).