N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline

C14H22FN3 — CID 62575931

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline
SMILESCCN1CCN(CCNc2ccc(F)cc2)CC1
InChIInChI=1S/C14H22FN3/c1-2-17-9-11-18(12-10-17)8-7-16-14-5-3-13(15)4-6-14/h3-6,16H,2,7-12H2,1H3
InChIKeyDFULVEXEAGUGIM-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline

N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline (PubChem CID 62575931) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline
PubChem CID62575931
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline
SMILESCCN1CCN(CCNc2ccc(F)cc2)CC1
InChIInChI=1S/C14H22FN3/c1-2-17-9-11-18(12-10-17)8-7-16-14-5-3-13(15)4-6-14/h3-6,16H,2,7-12H2,1H3
InChIKeyDFULVEXEAGUGIM-UHFFFAOYSA-N
XLogP1.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62645471
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111231746
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline
CID 64579858
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propoxyaniline
CID 82888943
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
CID 62557542
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
4-fluoro-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167577
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82890129
4-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62559865

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline (CID 62575931) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline is CCN1CCN(CCNc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline?
The InChIKey is DFULVEXEAGUGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-2-17-9-11-18(12-10-17)8-7-16-14-5-3-13(15)4-6-14/h3-6,16H,2,7-12H2,1H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline has a molecular weight of 251.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 62575931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).