1-(2-penta-1,3-dien-2-yloxyethyl)piperazine

C11H20N2O — CID 123497095

IUPAC1-(2-penta-1,3-dien-2-yloxyethyl)piperazine
SMILESC=C(C=CC)OCCN1CCNCC1
InChIInChI=1S/C11H20N2O/c1-3-4-11(2)14-10-9-13-7-5-12-6-8-13/h3-4,12H,2,5-10H2,1H3
InChIKeyZPBOOOAHZBKVJV-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds5

About 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine

1-(2-penta-1,3-dien-2-yloxyethyl)piperazine (PubChem CID 123497095) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine.

Molecular Properties

Compound Name1-(2-penta-1,3-dien-2-yloxyethyl)piperazine
PubChem CID123497095
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-penta-1,3-dien-2-yloxyethyl)piperazine
SMILESC=C(C=CC)OCCN1CCNCC1
InChIInChI=1S/C11H20N2O/c1-3-4-11(2)14-10-9-13-7-5-12-6-8-13/h3-4,12H,2,5-10H2,1H3
InChIKeyZPBOOOAHZBKVJV-UHFFFAOYSA-N
XLogP1.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Prop-2-enoxyethyl)piperazine
CID 82353022
N,N-dimethyl-2H-pyran-2-amine;morpholine;propan-2-amine
CID 117966799
1-(2-Octa-4,6-dien-3-yloxyethyl)piperazine
CID 123147935
1-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperazine
CID 141788352
N'-[3-[(3Z)-hexa-1,3,5-trien-2-yl]oxypropyl]-N,N'-dimethylethane-1,2-diamine
CID 142389274
1-[(3Z,5Z)-4-propan-2-yloxyhepta-1,3,5-trien-3-yl]piperazine
CID 143225680
1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
CID 143382290
1-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybuta-2,3-dien-2-yl]piperazine
CID 144345962
1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperazine
CID 153398654
1-(2-Buta-1,3-dien-2-yloxyethyl)-4-methylpiperazine
CID 163222699
1-{2-[(3-Methylbut-2-en-1-yl)oxy]ethyl}piperazine
CID 71378047
N-(2-but-2-enoxyethyl)-N',N'-dimethylethane-1,2-diamine
CID 76946827

Frequently Asked Questions

What is the IUPAC name of 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine?
The IUPAC name of 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine (CID 123497095) is 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine.
What is the SMILES notation for 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine?
The canonical SMILES for 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine is C=C(C=CC)OCCN1CCNCC1.
What is the InChIKey of 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine?
The InChIKey is ZPBOOOAHZBKVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-11(2)14-10-9-13-7-5-12-6-8-13/h3-4,12H,2,5-10H2,1H3.
What are the key properties of 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine?
1-(2-penta-1,3-dien-2-yloxyethyl)piperazine has a molecular weight of 196.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-penta-1,3-dien-2-yloxyethyl)piperazine is sourced from PubChem (CID 123497095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).