1-(4-ethenylphenyl)piperazine;methane

C13H20N2 — CID 159070972

IUPAC1-(4-ethenylphenyl)piperazine;methane
SMILESC.C=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H16N2.CH4/c1-2-11-3-5-12(6-4-11)14-9-7-13-8-10-14;/h2-6,13H,1,7-10H2;1H4
InChIKeyJZQJYBGOLIVJGG-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-ethenylphenyl)piperazine;methane

1-(4-ethenylphenyl)piperazine;methane (PubChem CID 159070972) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)piperazine;methane.

Molecular Properties

Compound Name1-(4-ethenylphenyl)piperazine;methane
PubChem CID159070972
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(4-ethenylphenyl)piperazine;methane
SMILESC.C=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H16N2.CH4/c1-2-11-3-5-12(6-4-11)14-9-7-13-8-10-14;/h2-6,13H,1,7-10H2;1H4
InChIKeyJZQJYBGOLIVJGG-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-p-toluidine
CID 7471
Bamipine
CID 72075
1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
1-Phenylpiperazine
CID 7096
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
N-Ethyl-N-benzylaniline
CID 7098
1-(2-Fluorophenyl)piperazine
CID 70529
4-Dimethylaminostilbene
CID 640024
1-(3-Fluorophenyl)piperazine
CID 77418
N,N'-Di-o-tolylethylenediamine
CID 66759

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)piperazine;methane?
The IUPAC name of 1-(4-ethenylphenyl)piperazine;methane (CID 159070972) is 1-(4-ethenylphenyl)piperazine;methane.
What is the SMILES notation for 1-(4-ethenylphenyl)piperazine;methane?
The canonical SMILES for 1-(4-ethenylphenyl)piperazine;methane is C.C=Cc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)piperazine;methane?
The InChIKey is JZQJYBGOLIVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.CH4/c1-2-11-3-5-12(6-4-11)14-9-7-13-8-10-14;/h2-6,13H,1,7-10H2;1H4.
What are the key properties of 1-(4-ethenylphenyl)piperazine;methane?
1-(4-ethenylphenyl)piperazine;methane has a molecular weight of 204.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)piperazine;methane is sourced from PubChem (CID 159070972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).