benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate

C20H33N3O5 — CID 166694268

IUPACbenzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
SMILESNCCOCCOCCOCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O5/c21-6-12-25-14-16-27-17-15-26-13-11-22-7-9-23(10-8-22)20(24)28-18-19-4-2-1-3-5-19/h1-5H,6-18,21H2
InChIKeyJWWJJUVZAWJLBU-UHFFFAOYSA-N
MW395.50 g/mol
LogP0.95
Rot. Bonds13

About benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate

benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate (PubChem CID 166694268) has the molecular formula C20H33N3O5 and a molecular weight of 395.50 g/mol. Its IUPAC name is benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
PubChem CID166694268
Molecular FormulaC20H33N3O5
Molecular Weight395.50 g/mol
Exact Mass395.24
IUPAC Namebenzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
SMILESNCCOCCOCCOCCN1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O5/c21-6-12-25-14-16-27-17-15-26-13-11-22-7-9-23(10-8-22)20(24)28-18-19-4-2-1-3-5-19/h1-5H,6-18,21H2
InChIKeyJWWJJUVZAWJLBU-UHFFFAOYSA-N
XLogP0.95
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
CID 163769676
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-pentylpiperazine-1-carboxylate
CID 20795377
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(3-oxopropyl)piperazine-1-carboxylate
CID 87851629
benzyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CID 63308848
CID 143025575
CID 143025575
4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperazine-1-carboxylic acid
CID 174208820
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
CID 110290734
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 69162546

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate (CID 166694268) is benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate is NCCOCCOCCOCCN1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate?
The InChIKey is JWWJJUVZAWJLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O5/c21-6-12-25-14-16-27-17-15-26-13-11-22-7-9-23(10-8-22)20(24)28-18-19-4-2-1-3-5-19/h1-5H,6-18,21H2.
What are the key properties of benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate?
benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 0.95, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 166694268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).