methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate

C15H22N2O2 — CID 75088546

IUPACmethyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate
SMILESCCC1CNCCN1Cc1ccccc1C(=O)OC
InChIInChI=1S/C15H22N2O2/c1-3-13-10-16-8-9-17(13)11-12-6-4-5-7-14(12)15(18)19-2/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyJCNPDXDAGWIOMC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.66
Rot. Bonds4

About methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate

methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate (PubChem CID 75088546) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate
PubChem CID75088546
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate
SMILESCCC1CNCCN1Cc1ccccc1C(=O)OC
InChIInChI=1S/C15H22N2O2/c1-3-13-10-16-8-9-17(13)11-12-6-4-5-7-14(12)15(18)19-2/h4-7,13,16H,3,8-11H2,1-2H3
InChIKeyJCNPDXDAGWIOMC-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoate
CID 464169
Methyl 4-(piperidin-1-ylmethyl)benzoate
CID 782306
2-({[1-(Ethoxycarbonyl)-4-piperidinyl]amino}carbonyl)benzoic acid
CID 2812260
4-(Phenyl-piperazin-1-yl-methyl)-benzoic acid methyl ester
CID 10804905
Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate
CID 782222
[2-Oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2510258
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 4875512
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3H-2-benzofuran-1-one
CID 5389515
Methyl 4-{[3-(2-hydroxyethyl)-4-isopropylpiperazin-1-yl]methyl}benzoate
CID 16188566
4-[(4-Allyl-piperazin-1-yl)-phenyl-methyl]-benzoic acid methyl ester
CID 44275566
Methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate
CID 44531037
[1-[2-(Methylamino)ethyl]piperidin-4-yl] benzoate
CID 134132630

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate?
The IUPAC name of methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate (CID 75088546) is methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate is CCC1CNCCN1Cc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate?
The InChIKey is JCNPDXDAGWIOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13-10-16-8-9-17(13)11-12-6-4-5-7-14(12)15(18)19-2/h4-7,13,16H,3,8-11H2,1-2H3.
What are the key properties of methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate?
methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate has a molecular weight of 262.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylpiperazin-1-yl)methyl]benzoate is sourced from PubChem (CID 75088546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).