benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate

C16H25N3O3 — CID 138695504

IUPACbenzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
SMILESO=C(NCCOCCN1CCNCC1)OCc1ccccc1
InChIInChI=1S/C16H25N3O3/c20-16(22-14-15-4-2-1-3-5-15)18-8-12-21-13-11-19-9-6-17-7-10-19/h1-5,17H,6-14H2,(H,18,20)
InChIKeyJEWVJNAPSYTRPQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.83
Rot. Bonds8

About benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate

benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate (PubChem CID 138695504) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
PubChem CID138695504
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Namebenzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
SMILESO=C(NCCOCCN1CCNCC1)OCc1ccccc1
InChIInChI=1S/C16H25N3O3/c20-16(22-14-15-4-2-1-3-5-15)18-8-12-21-13-11-19-9-6-17-7-10-19/h1-5,17H,6-14H2,(H,18,20)
InChIKeyJEWVJNAPSYTRPQ-UHFFFAOYSA-N
XLogP0.83
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
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benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
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benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
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benzyl 4-(1,4-diazepan-1-yl)butanoate
CID 164946182
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
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oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607
benzyl 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
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oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate (CID 138695504) is benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate is O=C(NCCOCCN1CCNCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate?
The InChIKey is JEWVJNAPSYTRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c20-16(22-14-15-4-2-1-3-5-15)18-8-12-21-13-11-19-9-6-17-7-10-19/h1-5,17H,6-14H2,(H,18,20).
What are the key properties of benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate?
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate is sourced from PubChem (CID 138695504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).