1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine

C15H21FN2 — CID 757365

IUPAC1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine
SMILESC/C=C(\C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2/c1-3-13(2)12-17-8-10-18(11-9-17)15-7-5-4-6-14(15)16/h3-7H,8-12H2,1-2H3/b13-3+
InChIKeySYPSJOXDTHZLDU-QLKAYGNNSA-N
MW248.35 g/mol
LogP2.91
Rot. Bonds3

About 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine

1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine (PubChem CID 757365) has the molecular formula C15H21FN2 and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine
PubChem CID757365
Molecular FormulaC15H21FN2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC Name1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine
SMILESC/C=C(\C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2/c1-3-13(2)12-17-8-10-18(11-9-17)15-7-5-4-6-14(15)16/h3-7H,8-12H2,1-2H3/b13-3+
InChIKeySYPSJOXDTHZLDU-QLKAYGNNSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine (CID 757365) is 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine is C/C=C(\C)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine?
The InChIKey is SYPSJOXDTHZLDU-QLKAYGNNSA-N. The full InChI is InChI=1S/C15H21FN2/c1-3-13(2)12-17-8-10-18(11-9-17)15-7-5-4-6-14(15)16/h3-7H,8-12H2,1-2H3/b13-3+.
What are the key properties of 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine?
1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine has a molecular weight of 248.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(E)-2-methylbut-2-enyl]piperazine is sourced from PubChem (CID 757365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).