4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline

C14H22FN3 — CID 154967774

IUPAC4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline
SMILESCCN1CCN(C(C)c2ccc(N)cc2F)CC1
InChIInChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)11(2)13-5-4-12(16)10-14(13)15/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyIMCXCACJTIFGDH-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.11
Rot. Bonds3

About 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline

4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline (PubChem CID 154967774) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline
PubChem CID154967774
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline
SMILESCCN1CCN(C(C)c2ccc(N)cc2F)CC1
InChIInChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)11(2)13-5-4-12(16)10-14(13)15/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyIMCXCACJTIFGDH-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.11
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

4-[1-(4-ethylpiperazin-1-yl)ethyl]aniline
CID 61262027
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
3-fluoro-4-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]phenol
CID 107721087
2-[4-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 94435985
2-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]acetamide
CID 56818364
N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16786188
3-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]aniline
CID 64770609
(5-amino-2-methylphenyl)-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 120646250
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84746336
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
2-[1-(4-ethylpiperazin-1-yl)ethyl]naphthalen-1-ol
CID 82958965
1-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]ethanol
CID 111114048

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline?
The IUPAC name of 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline (CID 154967774) is 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline is CCN1CCN(C(C)c2ccc(N)cc2F)CC1.
What is the InChIKey of 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline?
The InChIKey is IMCXCACJTIFGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-17-6-8-18(9-7-17)11(2)13-5-4-12(16)10-14(13)15/h4-5,10-11H,3,6-9,16H2,1-2H3.
What are the key properties of 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline?
4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline has a molecular weight of 251.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylpiperazin-1-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 154967774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).