1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine

C14H26N2O — CID 142877013

IUPAC1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine
SMILESCC/C(=C\C=C(/C)N1CCN(CC)CC1)OC
InChIInChI=1S/C14H26N2O/c1-5-14(17-4)8-7-13(3)16-11-9-15(6-2)10-12-16/h7-8H,5-6,9-12H2,1-4H3/b13-7+,14-8+
InChIKeyNWVZLGBBOKCWBO-FNCQTZNRSA-N
MW238.38 g/mol
LogP2.47
Rot. Bonds5

About 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine

1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine (PubChem CID 142877013) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine
PubChem CID142877013
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine
SMILESCC/C(=C\C=C(/C)N1CCN(CC)CC1)OC
InChIInChI=1S/C14H26N2O/c1-5-14(17-4)8-7-13(3)16-11-9-15(6-2)10-12-16/h7-8H,5-6,9-12H2,1-4H3/b13-7+,14-8+
InChIKeyNWVZLGBBOKCWBO-FNCQTZNRSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
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-(5-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123507334
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 123703462
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)-4-methylpiperazine
CID 141952227
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162354
ethane;N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162365
1-(4-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 148531533
1-[(E)-4-methoxypent-3-en-2-yl]-4-methylpiperazine
CID 167231552

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine (CID 142877013) is 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine is CC/C(=C\C=C(/C)N1CCN(CC)CC1)OC.
What is the InChIKey of 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine?
The InChIKey is NWVZLGBBOKCWBO-FNCQTZNRSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-14(17-4)8-7-13(3)16-11-9-15(6-2)10-12-16/h7-8H,5-6,9-12H2,1-4H3/b13-7+,14-8+.
What are the key properties of 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine?
1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine has a molecular weight of 238.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2E,4E)-5-methoxyhepta-2,4-dien-2-yl]piperazine is sourced from PubChem (CID 142877013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).