2-methyl-1-(3-phenylprop-2-enyl)piperazine

C14H20N2 — CID 75598897

IUPAC2-methyl-1-(3-phenylprop-2-enyl)piperazine
SMILESCC1CNCCN1CC=Cc1ccccc1
InChIInChI=1S/C14H20N2/c1-13-12-15-9-11-16(13)10-5-8-14-6-3-2-4-7-14/h2-8,13,15H,9-12H2,1H3
InChIKeyVLQWQIOKDHGDGO-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-1-(3-phenylprop-2-enyl)piperazine

2-methyl-1-(3-phenylprop-2-enyl)piperazine (PubChem CID 75598897) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(3-phenylprop-2-enyl)piperazine
PubChem CID75598897
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-methyl-1-(3-phenylprop-2-enyl)piperazine
SMILESCC1CNCCN1CC=Cc1ccccc1
InChIInChI=1S/C14H20N2/c1-13-12-15-9-11-16(13)10-5-8-14-6-3-2-4-7-14/h2-8,13,15H,9-12H2,1H3
InChIKeyVLQWQIOKDHGDGO-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 2-methyl-1-(3-phenylprop-2-enyl)piperazine (CID 75598897) is 2-methyl-1-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 2-methyl-1-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 2-methyl-1-(3-phenylprop-2-enyl)piperazine is CC1CNCCN1CC=Cc1ccccc1.
What is the InChIKey of 2-methyl-1-(3-phenylprop-2-enyl)piperazine?
The InChIKey is VLQWQIOKDHGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-13-12-15-9-11-16(13)10-5-8-14-6-3-2-4-7-14/h2-8,13,15H,9-12H2,1H3.
What are the key properties of 2-methyl-1-(3-phenylprop-2-enyl)piperazine?
2-methyl-1-(3-phenylprop-2-enyl)piperazine has a molecular weight of 216.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 75598897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).