5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline

C14H21FN2O2 — CID 102955599

IUPAC5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
SMILESCOc1cc(N2CCC(C)C(OC)C2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9-4-5-17(8-14(9)19-3)12-7-13(18-2)10(15)6-11(12)16/h6-7,9,14H,4-5,8,16H2,1-3H3
InChIKeyRGCATIHHHMOIEH-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.28
Rot. Bonds3

About 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline

5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline (PubChem CID 102955599) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
PubChem CID102955599
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
SMILESCOc1cc(N2CCC(C)C(OC)C2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9-4-5-17(8-14(9)19-3)12-7-13(18-2)10(15)6-11(12)16/h6-7,9,14H,4-5,8,16H2,1-3H3
InChIKeyRGCATIHHHMOIEH-UHFFFAOYSA-N
XLogP2.28
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide
CID 55215681
2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
CID 102955583
methyl 3-amino-4-(3-methoxy-4-methylpiperidin-1-yl)benzoate
CID 102964150
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
CID 114677679
7-fluoro-8-(3-methoxy-4-methylpiperidin-1-yl)quinolin-5-amine
CID 102955565
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
2-fluoro-6-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 114065164

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline?
The IUPAC name of 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline (CID 102955599) is 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline is COc1cc(N2CCC(C)C(OC)C2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline?
The InChIKey is RGCATIHHHMOIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9-4-5-17(8-14(9)19-3)12-7-13(18-2)10(15)6-11(12)16/h6-7,9,14H,4-5,8,16H2,1-3H3.
What are the key properties of 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline?
5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline has a molecular weight of 268.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 102955599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).