butyl N-(2-piperazin-1-ylethyl)carbamate

C11H23N3O2 — CID 22118734

IUPACbutyl N-(2-piperazin-1-ylethyl)carbamate
SMILESCCCCOC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-2-3-10-16-11(15)13-6-9-14-7-4-12-5-8-14/h12H,2-10H2,1H3,(H,13,15)
InChIKeySJNQOBZNUSYRLW-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.42
Rot. Bonds6

About butyl N-(2-piperazin-1-ylethyl)carbamate

butyl N-(2-piperazin-1-ylethyl)carbamate (PubChem CID 22118734) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is butyl N-(2-piperazin-1-ylethyl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-piperazin-1-ylethyl)carbamate
PubChem CID22118734
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namebutyl N-(2-piperazin-1-ylethyl)carbamate
SMILESCCCCOC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-2-3-10-16-11(15)13-6-9-14-7-4-12-5-8-14/h12H,2-10H2,1H3,(H,13,15)
InChIKeySJNQOBZNUSYRLW-UHFFFAOYSA-N
XLogP0.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-(2-piperazin-1-ylethyl)carbamate?
The IUPAC name of butyl N-(2-piperazin-1-ylethyl)carbamate (CID 22118734) is butyl N-(2-piperazin-1-ylethyl)carbamate.
What is the SMILES notation for butyl N-(2-piperazin-1-ylethyl)carbamate?
The canonical SMILES for butyl N-(2-piperazin-1-ylethyl)carbamate is CCCCOC(=O)NCCN1CCNCC1.
What is the InChIKey of butyl N-(2-piperazin-1-ylethyl)carbamate?
The InChIKey is SJNQOBZNUSYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-3-10-16-11(15)13-6-9-14-7-4-12-5-8-14/h12H,2-10H2,1H3,(H,13,15).
What are the key properties of butyl N-(2-piperazin-1-ylethyl)carbamate?
butyl N-(2-piperazin-1-ylethyl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-piperazin-1-ylethyl)carbamate is sourced from PubChem (CID 22118734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).