2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine

C11H23N3O — CID 164877002

IUPAC2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine
SMILESC=C(C)OCCN1CCN(CCN)CC1
InChIInChI=1S/C11H23N3O/c1-11(2)15-10-9-14-7-5-13(4-3-12)6-8-14/h1,3-10,12H2,2H3
InChIKeyFBVLMFMQCXNUET-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.11
Rot. Bonds6

About 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine

2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine (PubChem CID 164877002) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine
PubChem CID164877002
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine
SMILESC=C(C)OCCN1CCN(CCN)CC1
InChIInChI=1S/C11H23N3O/c1-11(2)15-10-9-14-7-5-13(4-3-12)6-8-14/h1,3-10,12H2,2H3
InChIKeyFBVLMFMQCXNUET-UHFFFAOYSA-N
XLogP0.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
CID 106450826
2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
CID 176691327
2-[4-(2-aminoethyl)piperazin-1-yl]ethanol;trihydrochloride
CID 167741748
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
CID 174749311
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;phosphono dihydrogen phosphate
CID 118556690
N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine
CID 58743576
2-(4-prop-2-enoylpiperazin-1-yl)ethyl acetate
CID 159707126
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine (CID 164877002) is 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine is C=C(C)OCCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine?
The InChIKey is FBVLMFMQCXNUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2)15-10-9-14-7-5-13(4-3-12)6-8-14/h1,3-10,12H2,2H3.
What are the key properties of 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine?
2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine has a molecular weight of 213.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 164877002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).