2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline

C17H20FN3 — CID 60783032

IUPAC2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline
SMILESCc1cccc(N2CCN(c3cccc(F)c3N)CC2)c1
InChIInChI=1S/C17H20FN3/c1-13-4-2-5-14(12-13)20-8-10-21(11-9-20)16-7-3-6-15(18)17(16)19/h2-7,12H,8-11,19H2,1H3
InChIKeyFDPUBVPWEKRJAU-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.04
Rot. Bonds2

About 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline

2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline (PubChem CID 60783032) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline
PubChem CID60783032
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline
SMILESCc1cccc(N2CCN(c3cccc(F)c3N)CC2)c1
InChIInChI=1S/C17H20FN3/c1-13-4-2-5-14(12-13)20-8-10-21(11-9-20)16-7-3-6-15(18)17(16)19/h2-7,12H,8-11,19H2,1H3
InChIKeyFDPUBVPWEKRJAU-UHFFFAOYSA-N
XLogP3.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.04
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

5-iodo-2-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 66064668
4-bromo-2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]benzamide
CID 133440647
2-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-amine
CID 24695476
(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1130382
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
CID 71683732
6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine
CID 79827724
(E)-3-(2-fluorophenyl)-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 27041312
1-(3-methylphenyl)piperidine;propane
CID 143942273
2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
CID 62205545
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The IUPAC name of 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline (CID 60783032) is 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline.
What is the SMILES notation for 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The canonical SMILES for 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline is Cc1cccc(N2CCN(c3cccc(F)c3N)CC2)c1.
What is the InChIKey of 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline?
The InChIKey is FDPUBVPWEKRJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-13-4-2-5-14(12-13)20-8-10-21(11-9-20)16-7-3-6-15(18)17(16)19/h2-7,12H,8-11,19H2,1H3.
What are the key properties of 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline?
2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline has a molecular weight of 285.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(3-methylphenyl)piperazin-1-yl]aniline is sourced from PubChem (CID 60783032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).