2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline

C14H21FN2O — CID 63597631

IUPAC2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(N2CC(C)CC(C)C2)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-4-10(2)8-17(7-9)13-6-14(18-3)11(15)5-12(13)16/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyWQQZZCKWCXTIDT-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.90
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline

2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline (PubChem CID 63597631) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
PubChem CID63597631
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(N2CC(C)CC(C)C2)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-4-10(2)8-17(7-9)13-6-14(18-3)11(15)5-12(13)16/h5-6,9-10H,4,7-8,16H2,1-3H3
InChIKeyWQQZZCKWCXTIDT-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline (CID 63597631) is 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline is COc1cc(N2CC(C)CC(C)C2)c(N)cc1F.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline?
The InChIKey is WQQZZCKWCXTIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-4-10(2)8-17(7-9)13-6-14(18-3)11(15)5-12(13)16/h5-6,9-10H,4,7-8,16H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline?
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline has a molecular weight of 252.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63597631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).