methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate

C15H20N2O2 — CID 129109029

IUPACmethyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate
SMILESC=CN1CCN(Cc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C15H20N2O2/c1-3-16-8-10-17(11-9-16)12-13-4-6-14(7-5-13)15(18)19-2/h3-7H,1,8-12H2,2H3
InChIKeyINBYPULURPFCLL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds4

About methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate

methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate (PubChem CID 129109029) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate
PubChem CID129109029
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namemethyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate
SMILESC=CN1CCN(Cc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C15H20N2O2/c1-3-16-8-10-17(11-9-16)12-13-4-6-14(7-5-13)15(18)19-2/h3-7H,1,8-12H2,2H3
InChIKeyINBYPULURPFCLL-UHFFFAOYSA-N
XLogP1.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
methyl 4-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]benzoate
CID 46516315
methyl 4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzoate
CID 5009939
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637
methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
methyl 4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzoate
CID 86300470
methyl 4-[[4-(2-phenoxypropyl)piperazin-1-yl]methyl]benzoate
CID 54506508
methyl 4-[[(3R,5S)-4-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367213
methyl 4-(1,4-thiazepan-4-ylmethyl)benzoate
CID 61419246

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate (CID 129109029) is methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate is C=CN1CCN(Cc2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate?
The InChIKey is INBYPULURPFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-16-8-10-17(11-9-16)12-13-4-6-14(7-5-13)15(18)19-2/h3-7H,1,8-12H2,2H3.
What are the key properties of methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate?
methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate has a molecular weight of 260.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethenylpiperazin-1-yl)methyl]benzoate is sourced from PubChem (CID 129109029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).