1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine

C14H19FN2 — CID 57436140

IUPAC1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccc(F)cc1)CN1CCNCC1
InChIInChI=1S/C14H19FN2/c1-12(11-17-8-6-16-7-9-17)10-13-2-4-14(15)5-3-13/h2-5,10,16H,6-9,11H2,1H3/b12-10+
InChIKeyODQFDCBFXSPGJN-ZRDIBKRKSA-N
MW234.32 g/mol
LogP2.13
Rot. Bonds3

About 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine

1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine (PubChem CID 57436140) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine
PubChem CID57436140
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine
SMILESC/C(=C\c1ccc(F)cc1)CN1CCNCC1
InChIInChI=1S/C14H19FN2/c1-12(11-17-8-6-16-7-9-17)10-13-2-4-14(15)5-3-13/h2-5,10,16H,6-9,11H2,1H3/b12-10+
InChIKeyODQFDCBFXSPGJN-ZRDIBKRKSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine (CID 57436140) is 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine is C/C(=C\c1ccc(F)cc1)CN1CCNCC1.
What is the InChIKey of 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine?
The InChIKey is ODQFDCBFXSPGJN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H19FN2/c1-12(11-17-8-6-16-7-9-17)10-13-2-4-14(15)5-3-13/h2-5,10,16H,6-9,11H2,1H3/b12-10+.
What are the key properties of 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine?
1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine has a molecular weight of 234.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine is sourced from PubChem (CID 57436140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).