2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline

C18H22FN3 — CID 13217691

IUPAC2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
SMILESNc1ccccc1CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3/c19-16-5-7-17(8-6-16)22-13-11-21(12-14-22)10-9-15-3-1-2-4-18(15)20/h1-8H,9-14,20H2
InChIKeyIYHXFGMOXCIYBU-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.77
Rot. Bonds4

About 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline

2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline (PubChem CID 13217691) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
PubChem CID13217691
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline
SMILESNc1ccccc1CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3/c19-16-5-7-17(8-6-16)22-13-11-21(12-14-22)10-9-15-3-1-2-4-18(15)20/h1-8H,9-14,20H2
InChIKeyIYHXFGMOXCIYBU-UHFFFAOYSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.77
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

2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
CID 62495896
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 82058182
6-[3-fluoro-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]pyridin-2-amine
CID 57257291
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318148
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982248
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
CID 53329789

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline (CID 13217691) is 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline is Nc1ccccc1CCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline?
The InChIKey is IYHXFGMOXCIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c19-16-5-7-17(8-6-16)22-13-11-21(12-14-22)10-9-15-3-1-2-4-18(15)20/h1-8H,9-14,20H2.
What are the key properties of 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline?
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline has a molecular weight of 299.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]aniline is sourced from PubChem (CID 13217691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).