1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine

C14H20N2 — CID 783324

IUPAC1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C14H20N2/c1-15-10-12-16(13-11-15)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3/b8-5+
InChIKeyDYHUXIARKJHEDW-VMPITWQZSA-N
MW216.33 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine

1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 783324) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID783324
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C14H20N2/c1-15-10-12-16(13-11-15)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3/b8-5+
InChIKeyDYHUXIARKJHEDW-VMPITWQZSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 783324) is 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine is CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is DYHUXIARKJHEDW-VMPITWQZSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-10-12-16(13-11-15)9-5-8-14-6-3-2-4-7-14/h2-8H,9-13H2,1H3/b8-5+.
What are the key properties of 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 216.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 783324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).