methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate

C14H20N2O3 — CID 66996253

IUPACmethyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCN(C)CC2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)11-4-5-12(14(17)19-3)13(10-11)18-2/h4-5,10H,6-9H2,1-3H3
InChIKeyFUCOWYCBISCAER-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.23
Rot. Bonds3

About methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate

methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate (PubChem CID 66996253) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
PubChem CID66996253
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCN(C)CC2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)11-4-5-12(14(17)19-3)13(10-11)18-2/h4-5,10H,6-9H2,1-3H3
InChIKeyFUCOWYCBISCAER-UHFFFAOYSA-N
XLogP1.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate
CID 122129607
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate
CID 177332943
methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
CID 140704130
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
tert-butyl 2-(2-fluoroethoxy)-4-(4-methylpiperazin-1-yl)benzoate
CID 88919566
1-(3,4-dimethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108866230
(Z)-2-(3-chlorophenyl)-3-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]but-2-enal
CID 174250399

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate?
The IUPAC name of methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate (CID 66996253) is methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate is COC(=O)c1ccc(N2CCN(C)CC2)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate?
The InChIKey is FUCOWYCBISCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)11-4-5-12(14(17)19-3)13(10-11)18-2/h4-5,10H,6-9H2,1-3H3.
What are the key properties of methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate?
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate is sourced from PubChem (CID 66996253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).