piperazin-2-ylmethyl N,N-diethylcarbamate

C10H21N3O2 — CID 57170882

IUPACpiperazin-2-ylmethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1CNCCN1
InChIInChI=1S/C10H21N3O2/c1-3-13(4-2)10(14)15-8-9-7-11-5-6-12-9/h9,11-12H,3-8H2,1-2H3
InChIKeyRXBLEAWLKQYDJX-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.03
Rot. Bonds4

About piperazin-2-ylmethyl N,N-diethylcarbamate

piperazin-2-ylmethyl N,N-diethylcarbamate (PubChem CID 57170882) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is piperazin-2-ylmethyl N,N-diethylcarbamate.

Molecular Properties

Compound Namepiperazin-2-ylmethyl N,N-diethylcarbamate
PubChem CID57170882
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namepiperazin-2-ylmethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1CNCCN1
InChIInChI=1S/C10H21N3O2/c1-3-13(4-2)10(14)15-8-9-7-11-5-6-12-9/h9,11-12H,3-8H2,1-2H3
InChIKeyRXBLEAWLKQYDJX-UHFFFAOYSA-N
XLogP0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-2-ylmethyl N,N-diethylcarbamate?
The IUPAC name of piperazin-2-ylmethyl N,N-diethylcarbamate (CID 57170882) is piperazin-2-ylmethyl N,N-diethylcarbamate.
What is the SMILES notation for piperazin-2-ylmethyl N,N-diethylcarbamate?
The canonical SMILES for piperazin-2-ylmethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC1CNCCN1.
What is the InChIKey of piperazin-2-ylmethyl N,N-diethylcarbamate?
The InChIKey is RXBLEAWLKQYDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-13(4-2)10(14)15-8-9-7-11-5-6-12-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of piperazin-2-ylmethyl N,N-diethylcarbamate?
piperazin-2-ylmethyl N,N-diethylcarbamate has a molecular weight of 215.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-ylmethyl N,N-diethylcarbamate is sourced from PubChem (CID 57170882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).