methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate

C15H20N2O2 — CID 169479706

IUPACmethyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-16-9-11-17(12-10-16)14-6-3-13(4-7-14)5-8-15(18)19-2/h3-8H,9-12H2,1-2H3
InChIKeyDOEBXESTECYZBT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.62
Rot. Bonds3

About methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate

methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate (PubChem CID 169479706) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate
PubChem CID169479706
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-16-9-11-17(12-10-16)14-6-3-13(4-7-14)5-8-15(18)19-2/h3-8H,9-12H2,1-2H3
InChIKeyDOEBXESTECYZBT-UHFFFAOYSA-N
XLogP1.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
methyl 3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 70076895
(E)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1491042
methyl (E)-3-[3-[[1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]cyclohexanecarbonyl]amino]phenyl]prop-2-enoate
CID 135310419
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
N-hydroxy-3-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 74428828
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate (CID 169479706) is methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate is COC(=O)C=Cc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate?
The InChIKey is DOEBXESTECYZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-9-11-17(12-10-16)14-6-3-13(4-7-14)5-8-15(18)19-2/h3-8H,9-12H2,1-2H3.
What are the key properties of methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate?
methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate has a molecular weight of 260.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoate is sourced from PubChem (CID 169479706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).