1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine

C14H24N2 — CID 167002240

IUPAC1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C/C)CN1CCN(CC)CC1
InChIInChI=1S/C14H24N2/c1-4-7-8-14(5-2)13-16-11-9-15(6-3)10-12-16/h4-5,7-8H,1,6,9-13H2,2-3H3/b8-7-,14-5+
InChIKeyMABCHDLPHNAAOH-KDDHRZGXSA-N
MW220.36 g/mol
LogP2.31
Rot. Bonds5

About 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine

1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine (PubChem CID 167002240) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
PubChem CID167002240
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C/C)CN1CCN(CC)CC1
InChIInChI=1S/C14H24N2/c1-4-7-8-14(5-2)13-16-11-9-15(6-3)10-12-16/h4-5,7-8H,1,6,9-13H2,2-3H3/b8-7-,14-5+
InChIKeyMABCHDLPHNAAOH-KDDHRZGXSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-allyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446858
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
2-Diethylaminomethylphenyllithium
CID 21399648
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine
CID 139566303

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
The IUPAC name of 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine (CID 167002240) is 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine is C=C/C=C\C(=C/C)CN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
The InChIKey is MABCHDLPHNAAOH-KDDHRZGXSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-7-8-14(5-2)13-16-11-9-15(6-3)10-12-16/h4-5,7-8H,1,6,9-13H2,2-3H3/b8-7-,14-5+.
What are the key properties of 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine is sourced from PubChem (CID 167002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).