1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine

C18H21FN2 — CID 22760403

IUPAC1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
SMILESCC(c1ccc(-c2ccc(F)cc2)cc1)N1CCNCC1
InChIInChI=1S/C18H21FN2/c1-14(21-12-10-20-11-13-21)15-2-4-16(5-3-15)17-6-8-18(19)9-7-17/h2-9,14,20H,10-13H2,1H3
InChIKeyMBYIYFDFETVNOW-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.46
Rot. Bonds3

About 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine

1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine (PubChem CID 22760403) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
PubChem CID22760403
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
SMILESCC(c1ccc(-c2ccc(F)cc2)cc1)N1CCNCC1
InChIInChI=1S/C18H21FN2/c1-14(21-12-10-20-11-13-21)15-2-4-16(5-3-15)17-6-8-18(19)9-7-17/h2-9,14,20H,10-13H2,1H3
InChIKeyMBYIYFDFETVNOW-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
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1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
4-[(1R)-1-piperazin-1-ylethyl]benzonitrile
CID 93464434
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318
4-(1-piperazin-1-ylethyl)benzaldehyde
CID 105473045
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
1-[1-(4-bromophenyl)ethyl]-1,4-diazepane
CID 3804536
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine (CID 22760403) is 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine is CC(c1ccc(-c2ccc(F)cc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine?
The InChIKey is MBYIYFDFETVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14(21-12-10-20-11-13-21)15-2-4-16(5-3-15)17-6-8-18(19)9-7-17/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine?
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine has a molecular weight of 284.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 22760403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).