2-(2-ethoxyethyl)-3-prop-2-enylpiperazine

C11H22N2O — CID 57324690

IUPAC2-(2-ethoxyethyl)-3-prop-2-enylpiperazine
SMILESC=CCC1NCCNC1CCOCC
InChIInChI=1S/C11H22N2O/c1-3-5-10-11(6-9-14-4-2)13-8-7-12-10/h3,10-13H,1,4-9H2,2H3
InChIKeyAMJKEFVARAUYDT-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.92
Rot. Bonds6

About 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine

2-(2-ethoxyethyl)-3-prop-2-enylpiperazine (PubChem CID 57324690) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-3-prop-2-enylpiperazine
PubChem CID57324690
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(2-ethoxyethyl)-3-prop-2-enylpiperazine
SMILESC=CCC1NCCNC1CCOCC
InChIInChI=1S/C11H22N2O/c1-3-5-10-11(6-9-14-4-2)13-8-7-12-10/h3,10-13H,1,4-9H2,2H3
InChIKeyAMJKEFVARAUYDT-UHFFFAOYSA-N
XLogP0.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ylethyl)hept-1-en-4-amine
CID 4712394
2-[2-(4-Pentenyloxy)ethyl]piperidine hydrochloride
CID 53408886
2-(2-Pent-4-enoxyethyl)piperidine
CID 53408887
N-ethyl-1-methoxyhept-6-en-3-amine
CID 64297218
1-methoxy-N-propylhept-6-en-3-amine
CID 64297220
N-pent-4-enyloxan-4-amine
CID 64316494
7-methoxy-N-propylhept-1-en-4-amine
CID 65091939
N-ethyl-7-methoxyhept-1-en-4-amine
CID 65092399
(2S)-2-(2-pent-4-enoxyethyl)piperidine
CID 86320714
(2R)-2-(2-pent-4-enoxyethyl)piperidine
CID 86320716
N-hex-5-en-2-yloxan-4-amine
CID 104581845
N-hex-5-en-2-yl-2-methyloxan-4-amine
CID 104583726

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine?
The IUPAC name of 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine (CID 57324690) is 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine.
What is the SMILES notation for 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine?
The canonical SMILES for 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine is C=CCC1NCCNC1CCOCC.
What is the InChIKey of 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine?
The InChIKey is AMJKEFVARAUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-10-11(6-9-14-4-2)13-8-7-12-10/h3,10-13H,1,4-9H2,2H3.
What are the key properties of 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine?
2-(2-ethoxyethyl)-3-prop-2-enylpiperazine has a molecular weight of 198.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-3-prop-2-enylpiperazine is sourced from PubChem (CID 57324690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).