1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine

C16H30N2O — CID 171827551

IUPAC1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine
SMILESCC/C=C\C(OCCN1CCNCC1)=C(/C)C(C)C
InChIInChI=1S/C16H30N2O/c1-5-6-7-16(15(4)14(2)3)19-13-12-18-10-8-17-9-11-18/h6-7,14,17H,5,8-13H2,1-4H3/b7-6-,16-15-
InChIKeyPIQLXFKGEBTVSC-OYAITDOQSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds7

About 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine

1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine (PubChem CID 171827551) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine.

Molecular Properties

Compound Name1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine
PubChem CID171827551
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine
SMILESCC/C=C\C(OCCN1CCNCC1)=C(/C)C(C)C
InChIInChI=1S/C16H30N2O/c1-5-6-7-16(15(4)14(2)3)19-13-12-18-10-8-17-9-11-18/h6-7,14,17H,5,8-13H2,1-4H3/b7-6-,16-15-
InChIKeyPIQLXFKGEBTVSC-OYAITDOQSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
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-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
N'-ethyl-N'-[2-[(3Z)-8-fluoro-5-methylcycloocta-1,3,7-trien-1-yl]oxyethyl]ethane-1,2-diamine
CID 173763345
1-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperazine
CID 176700608
1-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethyl]piperazine
CID 176701022
1-Methyl-4-[2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperazine
CID 71170408
1-(2-Octa-4,6-dien-3-yloxyethyl)piperazine
CID 123147935
1-[3-(3-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
CID 141006326
1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
CID 142202958
1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine
CID 143935692
ethane;methane;1-[1-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]oxybuta-2,3-dien-2-yl]piperazine
CID 144345949
1-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybuta-2,3-dien-2-yl]piperazine
CID 144345962
1-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]piperazine
CID 164736842

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine?
The IUPAC name of 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine (CID 171827551) is 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine.
What is the SMILES notation for 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine?
The canonical SMILES for 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine is CC/C=C\C(OCCN1CCNCC1)=C(/C)C(C)C.
What is the InChIKey of 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine?
The InChIKey is PIQLXFKGEBTVSC-OYAITDOQSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-6-7-16(15(4)14(2)3)19-13-12-18-10-8-17-9-11-18/h6-7,14,17H,5,8-13H2,1-4H3/b7-6-,16-15-.
What are the key properties of 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine?
1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine has a molecular weight of 266.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3Z,5Z)-2,3-dimethylocta-3,5-dien-4-yl]oxyethyl]piperazine is sourced from PubChem (CID 171827551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).