1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine

C15H28N2O — CID 142920889

IUPAC1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine
SMILESC/C=C(\C=C/CC)CN1CCNC(CCOC)C1
InChIInChI=1S/C15H28N2O/c1-4-6-7-14(5-2)12-17-10-9-16-15(13-17)8-11-18-3/h5-7,15-16H,4,8-13H2,1-3H3/b7-6-,14-5+
InChIKeyXOCFSFPMEFRNIM-WFRORPSUSA-N
MW252.40 g/mol
LogP2.21
Rot. Bonds7

About 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine

1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine (PubChem CID 142920889) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine
PubChem CID142920889
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine
SMILESC/C=C(\C=C/CC)CN1CCNC(CCOC)C1
InChIInChI=1S/C15H28N2O/c1-4-6-7-14(5-2)12-17-10-9-16-15(13-17)8-11-18-3/h5-7,15-16H,4,8-13H2,1-3H3/b7-6-,14-5+
InChIKeyXOCFSFPMEFRNIM-WFRORPSUSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.21
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-(3-methoxypropyl)-N-(2-prop-1-enylpent-2-enyl)piperidin-4-amine
CID 123724092
1-(Cyclohexa-1,5-dien-1-ylmethyl)-3-(2-methoxyethyl)piperazine
CID 142920845
ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
CID 145028998
1-[2-[3-(methoxymethyl)piperazin-1-yl]benzene-5-id-1-yl]-N,N-dimethylmethanamine;yttrium
CID 155709754
4-[2-(Oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile
CID 175753335
4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315096
1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine
CID 114410639
4-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 114410852
1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
CID 145028999

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine (CID 142920889) is 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine is C/C=C(\C=C/CC)CN1CCNC(CCOC)C1.
What is the InChIKey of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine?
The InChIKey is XOCFSFPMEFRNIM-WFRORPSUSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-6-7-14(5-2)12-17-10-9-16-15(13-17)8-11-18-3/h5-7,15-16H,4,8-13H2,1-3H3/b7-6-,14-5+.
What are the key properties of 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine?
1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine has a molecular weight of 252.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-2-ethylidenehex-3-enyl]-3-(2-methoxyethyl)piperazine is sourced from PubChem (CID 142920889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).