ethyl N-(4-aminopiperazin-1-yl)carbamate

C7H16N4O2 — CID 45119367

IUPACethyl N-(4-aminopiperazin-1-yl)carbamate
SMILESCCOC(=O)NN1CCN(N)CC1
InChIInChI=1S/C7H16N4O2/c1-2-13-7(12)9-11-5-3-10(8)4-6-11/h2-6,8H2,1H3,(H,9,12)
InChIKeyFGDVLBBIMCCHHA-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.86
Rot. Bonds2

About ethyl N-(4-aminopiperazin-1-yl)carbamate

ethyl N-(4-aminopiperazin-1-yl)carbamate (PubChem CID 45119367) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is ethyl N-(4-aminopiperazin-1-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-aminopiperazin-1-yl)carbamate
PubChem CID45119367
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Nameethyl N-(4-aminopiperazin-1-yl)carbamate
SMILESCCOC(=O)NN1CCN(N)CC1
InChIInChI=1S/C7H16N4O2/c1-2-13-7(12)9-11-5-3-10(8)4-6-11/h2-6,8H2,1H3,(H,9,12)
InChIKeyFGDVLBBIMCCHHA-UHFFFAOYSA-N
XLogP-0.86
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-aminopiperazin-1-yl)carbamate?
The IUPAC name of ethyl N-(4-aminopiperazin-1-yl)carbamate (CID 45119367) is ethyl N-(4-aminopiperazin-1-yl)carbamate.
What is the SMILES notation for ethyl N-(4-aminopiperazin-1-yl)carbamate?
The canonical SMILES for ethyl N-(4-aminopiperazin-1-yl)carbamate is CCOC(=O)NN1CCN(N)CC1.
What is the InChIKey of ethyl N-(4-aminopiperazin-1-yl)carbamate?
The InChIKey is FGDVLBBIMCCHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-2-13-7(12)9-11-5-3-10(8)4-6-11/h2-6,8H2,1H3,(H,9,12).
What are the key properties of ethyl N-(4-aminopiperazin-1-yl)carbamate?
ethyl N-(4-aminopiperazin-1-yl)carbamate has a molecular weight of 188.23 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-aminopiperazin-1-yl)carbamate is sourced from PubChem (CID 45119367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).