ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol

C20H34FNO3 — CID 143502098

IUPACethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol
SMILESCC.CC(C)(C)O.COc1cc(F)c(C2CCN(C=O)CC2)cc1C
InChIInChI=1S/C14H18FNO2.C4H10O.C2H6/c1-10-7-12(13(15)8-14(10)18-2)11-3-5-16(9-17)6-4-11;1-4(2,3)5;1-2/h7-9,11H,3-6H2,1-2H3;5H,1-3H3;1-2H3
InChIKeyPIPXKNFYXYFJTD-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.28
Rot. Bonds3

About ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol

ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol (PubChem CID 143502098) has the molecular formula C20H34FNO3 and a molecular weight of 355.49 g/mol. Its IUPAC name is ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol.

Molecular Properties

Compound Nameethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol
PubChem CID143502098
Molecular FormulaC20H34FNO3
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Nameethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol
SMILESCC.CC(C)(C)O.COc1cc(F)c(C2CCN(C=O)CC2)cc1C
InChIInChI=1S/C14H18FNO2.C4H10O.C2H6/c1-10-7-12(13(15)8-14(10)18-2)11-3-5-16(9-17)6-4-11;1-4(2,3)5;1-2/h7-9,11H,3-6H2,1-2H3;5H,1-3H3;1-2H3
InChIKeyPIPXKNFYXYFJTD-UHFFFAOYSA-N
XLogP4.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol 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

ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
CID 143502107
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-5-methylphenyl)piperidine-1-carboxylate
CID 166077537
4-(2-fluorophenyl)piperidine-1-carbaldehyde
CID 87956080
1-tert-butyl-3-(4-chloro-2-fluorophenyl)pyrrolidine;ethane;N-[[4-fluoro-2-(1-formylpiperidin-4-yl)-5-methylphenyl]methyl]acetamide
CID 143183921
2-[4-(2-methoxy-4,5-dimethylphenyl)piperidin-1-yl]ethanamine
CID 116962841
tert-butyl 4-(5-formyl-2-methoxyphenyl)piperidine-1-carboxylate
CID 167311933
4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 110758854
2-fluoro-5-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171905716
2-[4-[1-(5-chloro-2-fluoro-4-methylphenyl)piperidin-4-yl]-5-fluoro-2-methoxyphenyl]isoindole-1,3-dione
CID 176931879
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828
(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 42611556

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol?
The IUPAC name of ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol (CID 143502098) is ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol.
What is the SMILES notation for ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol?
The canonical SMILES for ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol is CC.CC(C)(C)O.COc1cc(F)c(C2CCN(C=O)CC2)cc1C.
What is the InChIKey of ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol?
The InChIKey is PIPXKNFYXYFJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2.C4H10O.C2H6/c1-10-7-12(13(15)8-14(10)18-2)11-3-5-16(9-17)6-4-11;1-4(2,3)5;1-2/h7-9,11H,3-6H2,1-2H3;5H,1-3H3;1-2H3.
What are the key properties of ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol?
ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol has a molecular weight of 355.49 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-fluoro-4-methoxy-5-methylphenyl)piperidine-1-carbaldehyde;2-methylpropan-2-ol is sourced from PubChem (CID 143502098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).