tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate

C20H32N2O5 — CID 9127701

IUPACtert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
SMILESCOc1ccc(CN2CCN(CC(=O)OC(C)(C)C)CC2)c(OC)c1OC
InChIInChI=1S/C20H32N2O5/c1-20(2,3)27-17(23)14-22-11-9-21(10-12-22)13-15-7-8-16(24-4)19(26-6)18(15)25-5/h7-8H,9-14H2,1-6H3
InChIKeyMMLJFASBXMJQMS-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.17
Rot. Bonds7

About tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate

tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate (PubChem CID 9127701) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
PubChem CID9127701
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Nametert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
SMILESCOc1ccc(CN2CCN(CC(=O)OC(C)(C)C)CC2)c(OC)c1OC
InChIInChI=1S/C20H32N2O5/c1-20(2,3)27-17(23)14-22-11-9-21(10-12-22)13-15-7-8-16(24-4)19(26-6)18(15)25-5/h7-8H,9-14H2,1-6H3
InChIKeyMMLJFASBXMJQMS-UHFFFAOYSA-N
XLogP2.17
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[(2-hydroxy-3,4-dimethoxyphenyl)methyl]piperazine-1-carboxylate
CID 23441394
N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127677
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
N-(propan-2-ylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127737
(2-methylfuran-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46655883
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
phenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148101
3-methyl-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 1203196
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
(2-fluorophenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122393
[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioyl]sulfanyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 88521116
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate (CID 9127701) is tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate is COc1ccc(CN2CCN(CC(=O)OC(C)(C)C)CC2)c(OC)c1OC.
What is the InChIKey of tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate?
The InChIKey is MMLJFASBXMJQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-20(2,3)27-17(23)14-22-11-9-21(10-12-22)13-15-7-8-16(24-4)19(26-6)18(15)25-5/h7-8H,9-14H2,1-6H3.
What are the key properties of tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate?
tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate has a molecular weight of 380.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 9127701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).