2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline

C16H25FN2O — CID 63592284

IUPAC2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(N2CCC(C)CC2C)c(N)cc1F
InChIInChI=1S/C16H25FN2O/c1-4-7-20-16-10-15(14(18)9-13(16)17)19-6-5-11(2)8-12(19)3/h9-12H,4-8,18H2,1-3H3
InChIKeyVVQOEBWEINPNGE-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.82
Rot. Bonds4

About 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline

2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline (PubChem CID 63592284) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline
PubChem CID63592284
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(N2CCC(C)CC2C)c(N)cc1F
InChIInChI=1S/C16H25FN2O/c1-4-7-20-16-10-15(14(18)9-13(16)17)19-6-5-11(2)8-12(19)3/h9-12H,4-8,18H2,1-3H3
InChIKeyVVQOEBWEINPNGE-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-4-fluoro-5-propoxyphenyl)azepan-2-yl]methanol
CID 116634014
5-fluoro-2-piperazin-1-yl-4-propoxyaniline
CID 63593326
2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline
CID 63593438
3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline
CID 80739316
2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol
CID 63594357
4-ethoxy-5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592031
4-(2-amino-4-fluoro-5-propoxyphenyl)morpholine-2-carbonitrile
CID 79674522
2-(3,4-dimethylpyrrolidin-1-yl)-4-ethoxy-5-fluoroaniline
CID 79189086
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluoro-4-propoxyaniline
CID 64575965
2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 62330125
1-N-(3,4-dimethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64740895
2-(benzimidazol-1-yl)-5-fluoro-4-propoxyaniline
CID 63592846

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline (CID 63592284) is 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline is CCCOc1cc(N2CCC(C)CC2C)c(N)cc1F.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
The InChIKey is VVQOEBWEINPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-7-20-16-10-15(14(18)9-13(16)17)19-6-5-11(2)8-12(19)3/h9-12H,4-8,18H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline has a molecular weight of 280.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline is sourced from PubChem (CID 63592284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).