3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline

C12H16F2N2O — CID 55085974

IUPAC3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline
SMILESCOC1CCN(c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C12H16F2N2O/c1-17-8-4-6-16(7-5-8)12-10(15)3-2-9(13)11(12)14/h2-3,8H,4-7,15H2,1H3
InChIKeyYODALVDVJMAUKP-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.16
Rot. Bonds2

About 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline

3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline (PubChem CID 55085974) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline.

Molecular Properties

Compound Name3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline
PubChem CID55085974
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline
SMILESCOC1CCN(c2c(N)ccc(F)c2F)CC1
InChIInChI=1S/C12H16F2N2O/c1-17-8-4-6-16(7-5-8)12-10(15)3-2-9(13)11(12)14/h2-3,8H,4-7,15H2,1H3
InChIKeyYODALVDVJMAUKP-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline 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

2-(4-Methylpiperazin-1-yl)aniline
CID 286547
5-Fluoro-2-(4-methylpiperazin-1-yl)aniline
CID 6485406
2-Morpholinoaniline
CID 735756
2-(Piperidin-1-yl)aniline
CID 458795
5-Fluoro-2-(3-methylpiperidin-1-yl)aniline hydrochloride
CID 16192915
2-[4-(2-Amino-phenyl)-piperazin-1-yl]-ethanol
CID 6485408
2-(4-Ethylpiperazin-1-yl)aniline
CID 1096256
1-Methyl-4-piperidinyl N-(4-fluorophenyl)carbamate
CID 5112796
1-(2-Aminophenyl)piperidin-4-ol
CID 16787333
2-Fluoro-6-(piperidin-1-yl)aniline
CID 53255723
5-Fluoro-2-(morpholin-4-yl)aniline
CID 6485404
2-(Morpholin-4-yl)aniline dihydrochloride
CID 75481890

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline?
The IUPAC name of 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline (CID 55085974) is 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline.
What is the SMILES notation for 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline?
The canonical SMILES for 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline is COC1CCN(c2c(N)ccc(F)c2F)CC1.
What is the InChIKey of 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline?
The InChIKey is YODALVDVJMAUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-17-8-4-6-16(7-5-8)12-10(15)3-2-9(13)11(12)14/h2-3,8H,4-7,15H2,1H3.
What are the key properties of 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline?
3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline has a molecular weight of 242.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(4-methoxypiperidin-1-yl)aniline is sourced from PubChem (CID 55085974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).