1-[2-(2-methylprop-2-enoxy)ethyl]piperazine

C10H20N2O — CID 82353032

IUPAC1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
SMILESC=C(C)COCCN1CCNCC1
InChIInChI=1S/C10H20N2O/c1-10(2)9-13-8-7-12-5-3-11-4-6-12/h11H,1,3-9H2,2H3
InChIKeyTVSTXQFRKHBTAE-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.48
Rot. Bonds5

About 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine

1-[2-(2-methylprop-2-enoxy)ethyl]piperazine (PubChem CID 82353032) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
PubChem CID82353032
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
SMILESC=C(C)COCCN1CCNCC1
InChIInChI=1S/C10H20N2O/c1-10(2)9-13-8-7-12-5-3-11-4-6-12/h11H,1,3-9H2,2H3
InChIKeyTVSTXQFRKHBTAE-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-2-enoxymethyl)piperazine
CID 58625933
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-en-1-amine
CID 60687136
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
1-Methyl-4-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 68076579
(2R)-2-(2-methylprop-2-enoxymethyl)piperazine
CID 69214785
1-(2-Prop-2-enoxyethyl)piperazine
CID 82353022
3-(2-Piperazin-1-ylethoxy)prop-1-en-1-one
CID 141000267
N-methyl-2-morpholin-4-ylethanamine;prop-1-ene
CID 142873123
N-[2-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]ethyl]-N,2-dimethylprop-2-en-1-amine
CID 155189256
1-[2-(2-Prop-2-enoxyethoxy)ethyl]piperazine
CID 156866527
2-methyl-N-[2-(3-methylidenemorpholin-4-yl)ethyl]propan-2-amine
CID 157542226
2-Methylprop-1-ene;morpholine
CID 157914333

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine (CID 82353032) is 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine is C=C(C)COCCN1CCNCC1.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
The InChIKey is TVSTXQFRKHBTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2)9-13-8-7-12-5-3-11-4-6-12/h11H,1,3-9H2,2H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine?
1-[2-(2-methylprop-2-enoxy)ethyl]piperazine has a molecular weight of 184.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethyl]piperazine is sourced from PubChem (CID 82353032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).