2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine

C13H27N5O — CID 110927190

IUPAC2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCN1CCN(C(C)=O)CC1)NCC
InChIInChI=1S/C13H27N5O/c1-4-14-13(15-5-2)16-6-7-17-8-10-18(11-9-17)12(3)19/h4-11H2,1-3H3,(H2,14,15,16)
InChIKeyGPCUZVNZYJPJIB-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.27
Rot. Bonds5

About 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine

2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine (PubChem CID 110927190) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine
PubChem CID110927190
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine
SMILESCCNC(=NCCN1CCN(C(C)=O)CC1)NCC
InChIInChI=1S/C13H27N5O/c1-4-14-13(15-5-2)16-6-7-17-8-10-18(11-9-17)12(3)19/h4-11H2,1-3H3,(H2,14,15,16)
InChIKeyGPCUZVNZYJPJIB-UHFFFAOYSA-N
XLogP-0.27
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine?
The IUPAC name of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine (CID 110927190) is 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine is CCNC(=NCCN1CCN(C(C)=O)CC1)NCC.
What is the InChIKey of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine?
The InChIKey is GPCUZVNZYJPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-4-14-13(15-5-2)16-6-7-17-8-10-18(11-9-17)12(3)19/h4-11H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine?
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine has a molecular weight of 269.39 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-diethylguanidine is sourced from PubChem (CID 110927190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).