1-(2-octa-4,6-dien-3-yloxyethyl)piperazine

C14H26N2O — CID 123147935

IUPAC1-(2-octa-4,6-dien-3-yloxyethyl)piperazine
SMILESCC=CC=CC(CC)OCCN1CCNCC1
InChIInChI=1S/C14H26N2O/c1-3-5-6-7-14(4-2)17-13-12-16-10-8-15-9-11-16/h3,5-7,14-15H,4,8-13H2,1-2H3
InChIKeyRXKIWIZRALXIMX-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.82
Rot. Bonds7

About 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine

1-(2-octa-4,6-dien-3-yloxyethyl)piperazine (PubChem CID 123147935) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine.

Molecular Properties

Compound Name1-(2-octa-4,6-dien-3-yloxyethyl)piperazine
PubChem CID123147935
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name1-(2-octa-4,6-dien-3-yloxyethyl)piperazine
SMILESCC=CC=CC(CC)OCCN1CCNCC1
InChIInChI=1S/C14H26N2O/c1-3-5-6-7-14(4-2)17-13-12-16-10-8-15-9-11-16/h3,5-7,14-15H,4,8-13H2,1-2H3
InChIKeyRXKIWIZRALXIMX-UHFFFAOYSA-N
XLogP1.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperazine
CID 176700608
2-[(1E)-buta-1,3-dienyl]morpholine
CID 18958909
2-Hex-1-enylmorpholine
CID 68588543
2-Pent-1-enylmorpholine
CID 68590333
2-But-1-enylmorpholine
CID 68590433
2-(But-1-en-1-yl)morpholine
CID 87508389
2-[(1E,3E)-octa-1,3-dienyl]morpholine
CID 88282315
1-(2-Penta-1,3-dien-2-yloxyethyl)piperazine
CID 123497095
2-Hexa-1,3,5-trien-3-yl-6-methylmorpholine
CID 123662227
2-[(1S)-cyclohexa-2,4-dien-1-yl]oxy-N-methylethanamine
CID 132159304
1-(6-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 141787665
N'-[2-[2-(4-methoxycyclohexa-2,4-dien-1-yl)oxyethoxy]ethyl]ethane-1,2-diamine
CID 142884056

Frequently Asked Questions

What is the IUPAC name of 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine?
The IUPAC name of 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine (CID 123147935) is 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine.
What is the SMILES notation for 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine?
The canonical SMILES for 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine is CC=CC=CC(CC)OCCN1CCNCC1.
What is the InChIKey of 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine?
The InChIKey is RXKIWIZRALXIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-6-7-14(4-2)17-13-12-16-10-8-15-9-11-16/h3,5-7,14-15H,4,8-13H2,1-2H3.
What are the key properties of 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine?
1-(2-octa-4,6-dien-3-yloxyethyl)piperazine has a molecular weight of 238.38 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octa-4,6-dien-3-yloxyethyl)piperazine is sourced from PubChem (CID 123147935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).