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

C12H17FN2 — CID 79678383

IUPAC2-fluoro-5-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C12H17FN2/c1-9-4-6-15(7-5-9)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7,14H2,1H3
InChIKeyWXWYBYHTGQUFGD-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.64
Rot. Bonds1

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

2-fluoro-5-(4-methylpiperidin-1-yl)aniline (PubChem CID 79678383) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-fluoro-5-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(4-methylpiperidin-1-yl)aniline
PubChem CID79678383
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-fluoro-5-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C12H17FN2/c1-9-4-6-15(7-5-9)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7,14H2,1H3
InChIKeyWXWYBYHTGQUFGD-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-(4-methylpiperidin-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

5-(3-tert-butylazetidin-1-yl)-2-fluoroaniline
CID 79678146
3-fluoro-5-(4-methylpiperidin-1-yl)aniline
CID 60874969
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853
2-fluoro-5-(3-propylazetidin-1-yl)aniline
CID 79677432
2-fluoro-6-methoxy-4-(4-methylpiperidin-1-yl)aniline
CID 166463434
4-bromo-5-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 116735269
5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236
2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 146019174
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
1-(3,5-dichlorophenyl)-4-methylpiperidine
CID 157277314
6-(4-methylpiperidin-1-yl)naphthalene-2-carbaldehyde
CID 151129511
5-(4-methylpiperidin-1-yl)-2,3-dihydroindol-1-amine
CID 150846033

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of 2-fluoro-5-(4-methylpiperidin-1-yl)aniline (CID 79678383) is 2-fluoro-5-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 2-fluoro-5-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccc(F)c(N)c2)CC1.
What is the InChIKey of 2-fluoro-5-(4-methylpiperidin-1-yl)aniline?
The InChIKey is WXWYBYHTGQUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-4-6-15(7-5-9)10-2-3-11(13)12(14)8-10/h2-3,8-9H,4-7,14H2,1H3.
What are the key properties of 2-fluoro-5-(4-methylpiperidin-1-yl)aniline?
2-fluoro-5-(4-methylpiperidin-1-yl)aniline has a molecular weight of 208.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 79678383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).