(2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol

C13H22N2O — CID 88890745

IUPAC(2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol
SMILESC=C/C(=C\C=C(/C)N1CCN(C)CC1)CO
InChIInChI=1S/C13H22N2O/c1-4-13(11-16)6-5-12(2)15-9-7-14(3)8-10-15/h4-6,16H,1,7-11H2,2-3H3/b12-5+,13-6+
InChIKeySZXGYHWHNBUGKB-BYDSPXIWSA-N
MW222.33 g/mol
LogP1.24
Rot. Bonds4

About (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol

(2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol (PubChem CID 88890745) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol
PubChem CID88890745
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol
SMILESC=C/C(=C\C=C(/C)N1CCN(C)CC1)CO
InChIInChI=1S/C13H22N2O/c1-4-13(11-16)6-5-12(2)15-9-7-14(3)8-10-15/h4-6,16H,1,7-11H2,2-3H3/b12-5+,13-6+
InChIKeySZXGYHWHNBUGKB-BYDSPXIWSA-N
XLogP1.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol (CID 88890745) is (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol is C=C/C(=C\C=C(/C)N1CCN(C)CC1)CO.
What is the InChIKey of (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol?
The InChIKey is SZXGYHWHNBUGKB-BYDSPXIWSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(11-16)6-5-12(2)15-9-7-14(3)8-10-15/h4-6,16H,1,7-11H2,2-3H3/b12-5+,13-6+.
What are the key properties of (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol?
(2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-5-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-ol is sourced from PubChem (CID 88890745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).