1-[4-(1-fluoroethyl)phenyl]piperazine

C12H17FN2 — CID 115025940

IUPAC1-[4-(1-fluoroethyl)phenyl]piperazine
SMILESCC(F)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H17FN2/c1-10(13)11-2-4-12(5-3-11)15-8-6-14-7-9-15/h2-5,10,14H,6-9H2,1H3
InChIKeyKOBXNUUOBPBVFG-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.13
Rot. Bonds2

About 1-[4-(1-fluoroethyl)phenyl]piperazine

1-[4-(1-fluoroethyl)phenyl]piperazine (PubChem CID 115025940) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[4-(1-fluoroethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(1-fluoroethyl)phenyl]piperazine
PubChem CID115025940
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[4-(1-fluoroethyl)phenyl]piperazine
SMILESCC(F)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H17FN2/c1-10(13)11-2-4-12(5-3-11)15-8-6-14-7-9-15/h2-5,10,14H,6-9H2,1H3
InChIKeyKOBXNUUOBPBVFG-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethyl)phenyl]piperazine?
The IUPAC name of 1-[4-(1-fluoroethyl)phenyl]piperazine (CID 115025940) is 1-[4-(1-fluoroethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(1-fluoroethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(1-fluoroethyl)phenyl]piperazine is CC(F)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(1-fluoroethyl)phenyl]piperazine?
The InChIKey is KOBXNUUOBPBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-10(13)11-2-4-12(5-3-11)15-8-6-14-7-9-15/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 1-[4-(1-fluoroethyl)phenyl]piperazine?
1-[4-(1-fluoroethyl)phenyl]piperazine has a molecular weight of 208.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethyl)phenyl]piperazine is sourced from PubChem (CID 115025940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).