(2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol

C14H24N2O — CID 167191362

IUPAC(2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol
SMILESC=C/C(C)=C\C(=C/C)C(O)N1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-5-12(3)11-13(6-2)14(17)16-9-7-15(4)8-10-16/h5-6,11,14,17H,1,7-10H2,2-4H3/b12-11-,13-6+
InChIKeyIQHWUQQRRQXFDR-CNZPJCCLSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds4

About (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol

(2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol (PubChem CID 167191362) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol
PubChem CID167191362
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol
SMILESC=C/C(C)=C\C(=C/C)C(O)N1CCN(C)CC1
InChIInChI=1S/C14H24N2O/c1-5-12(3)11-13(6-2)14(17)16-9-7-15(4)8-10-16/h5-6,11,14,17H,1,7-10H2,2-4H3/b12-11-,13-6+
InChIKeyIQHWUQQRRQXFDR-CNZPJCCLSA-N
XLogP1.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
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,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol?
The IUPAC name of (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol (CID 167191362) is (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol.
What is the SMILES notation for (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol?
The canonical SMILES for (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol is C=C/C(C)=C\C(=C/C)C(O)N1CCN(C)CC1.
What is the InChIKey of (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol?
The InChIKey is IQHWUQQRRQXFDR-CNZPJCCLSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-12(3)11-13(6-2)14(17)16-9-7-15(4)8-10-16/h5-6,11,14,17H,1,7-10H2,2-4H3/b12-11-,13-6+.
What are the key properties of (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol?
(2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol has a molecular weight of 236.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-4-methyl-1-(4-methylpiperazin-1-yl)hexa-3,5-dien-1-ol is sourced from PubChem (CID 167191362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).