2-aminoethyl N-piperazin-1-ylcarbamate

C7H16N4O2 — CID 159457935

IUPAC2-aminoethyl N-piperazin-1-ylcarbamate
SMILESNCCOC(=O)NN1CCNCC1
InChIInChI=1S/C7H16N4O2/c8-1-6-13-7(12)10-11-4-2-9-3-5-11/h9H,1-6,8H2,(H,10,12)
InChIKeyLUFJQWIJBJLMOX-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.51
Rot. Bonds3

About 2-aminoethyl N-piperazin-1-ylcarbamate

2-aminoethyl N-piperazin-1-ylcarbamate (PubChem CID 159457935) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-aminoethyl N-piperazin-1-ylcarbamate.

Molecular Properties

Compound Name2-aminoethyl N-piperazin-1-ylcarbamate
PubChem CID159457935
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name2-aminoethyl N-piperazin-1-ylcarbamate
SMILESNCCOC(=O)NN1CCNCC1
InChIInChI=1S/C7H16N4O2/c8-1-6-13-7(12)10-11-4-2-9-3-5-11/h9H,1-6,8H2,(H,10,12)
InChIKeyLUFJQWIJBJLMOX-UHFFFAOYSA-N
XLogP-1.51
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl N-piperazin-1-ylcarbamate?
The IUPAC name of 2-aminoethyl N-piperazin-1-ylcarbamate (CID 159457935) is 2-aminoethyl N-piperazin-1-ylcarbamate.
What is the SMILES notation for 2-aminoethyl N-piperazin-1-ylcarbamate?
The canonical SMILES for 2-aminoethyl N-piperazin-1-ylcarbamate is NCCOC(=O)NN1CCNCC1.
What is the InChIKey of 2-aminoethyl N-piperazin-1-ylcarbamate?
The InChIKey is LUFJQWIJBJLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c8-1-6-13-7(12)10-11-4-2-9-3-5-11/h9H,1-6,8H2,(H,10,12).
What are the key properties of 2-aminoethyl N-piperazin-1-ylcarbamate?
2-aminoethyl N-piperazin-1-ylcarbamate has a molecular weight of 188.23 g/mol, XLogP of -1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl N-piperazin-1-ylcarbamate is sourced from PubChem (CID 159457935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).