4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde

C15H20F2N2O2 — CID 175189323

IUPAC4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(CNCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20F2N2O2/c16-13-1-3-14(4-2-13)21-10-7-18-11-15(17)5-8-19(12-20)9-6-15/h1-4,12,18H,5-11H2
InChIKeyQXTDPXLTFHJAOB-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.75
Rot. Bonds7

About 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde

4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde (PubChem CID 175189323) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde
PubChem CID175189323
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde
SMILESO=CN1CCC(F)(CNCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20F2N2O2/c16-13-1-3-14(4-2-13)21-10-7-18-11-15(17)5-8-19(12-20)9-6-15/h1-4,12,18H,5-11H2
InChIKeyQXTDPXLTFHJAOB-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-4-(4-fluorophenyl)piperidine-1-carbaldehyde
CID 145287368
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
N-chloro-2-(4-fluorophenoxy)ethanamine
CID 118373465
N-[2-(4-fluorophenoxy)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131930916
N-[(1-fluorocyclopentyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 126847971
N-[2-(4-chlorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970900
1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438037
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol
CID 2280472
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970333
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 60506751

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde (CID 175189323) is 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde is O=CN1CCC(F)(CNCCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde?
The InChIKey is QXTDPXLTFHJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-13-1-3-14(4-2-13)21-10-7-18-11-15(17)5-8-19(12-20)9-6-15/h1-4,12,18H,5-11H2.
What are the key properties of 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde?
4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde has a molecular weight of 298.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[[2-(4-fluorophenoxy)ethylamino]methyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 175189323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).