1-(3-ethenylphenyl)-4-methylpiperazine

C13H18N2 — CID 123546085

IUPAC1-(3-ethenylphenyl)-4-methylpiperazine
SMILESC=Cc1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H18N2/c1-3-12-5-4-6-13(11-12)15-9-7-14(2)8-10-15/h3-6,11H,1,7-10H2,2H3
InChIKeyRXFCUEWDMXFZMQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-ethenylphenyl)-4-methylpiperazine

1-(3-ethenylphenyl)-4-methylpiperazine (PubChem CID 123546085) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(3-ethenylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-ethenylphenyl)-4-methylpiperazine
PubChem CID123546085
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(3-ethenylphenyl)-4-methylpiperazine
SMILESC=Cc1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C13H18N2/c1-3-12-5-4-6-13(11-12)15-9-7-14(2)8-10-15/h3-6,11H,1,7-10H2,2H3
InChIKeyRXFCUEWDMXFZMQ-UHFFFAOYSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[3-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-amine
CID 117335129
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
CID 163230338
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
2,4-dimethyl-1-[3-(4-methylpiperazin-1-yl)phenyl]piperazine
CID 175508761
1-(3-isocyanatophenyl)-4-methylpiperazine
CID 156634839
2-[3-(4-methylpiperazin-1-yl)phenyl]acetonitrile
CID 68945856
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117368545
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(3-ethenylphenyl)-4-methylpiperazine (CID 123546085) is 1-(3-ethenylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-ethenylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-ethenylphenyl)-4-methylpiperazine is C=Cc1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-(3-ethenylphenyl)-4-methylpiperazine?
The InChIKey is RXFCUEWDMXFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-12-5-4-6-13(11-12)15-9-7-14(2)8-10-15/h3-6,11H,1,7-10H2,2H3.
What are the key properties of 1-(3-ethenylphenyl)-4-methylpiperazine?
1-(3-ethenylphenyl)-4-methylpiperazine has a molecular weight of 202.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylphenyl)-4-methylpiperazine is sourced from PubChem (CID 123546085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).