(Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine

C17H32N4O — CID 176921266

IUPAC(Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine
SMILES[H]/N=C(\C=C(\C)CCC)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H32N4O/c1-3-4-16(2)15-17(18)21-9-7-19(8-10-21)5-6-20-11-13-22-14-12-20/h15,18H,3-14H2,1-2H3/b16-15-,18-17+
InChIKeyNNVOXAAIZCPHGL-LZFZKRRQSA-N
MW308.47 g/mol
LogP1.66
Rot. Bonds6

About (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine

(Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine (PubChem CID 176921266) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine
PubChem CID176921266
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name(Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine
SMILES[H]/N=C(\C=C(\C)CCC)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H32N4O/c1-3-4-16(2)15-17(18)21-9-7-19(8-10-21)5-6-20-11-13-22-14-12-20/h15,18H,3-14H2,1-2H3/b16-15-,18-17+
InChIKeyNNVOXAAIZCPHGL-LZFZKRRQSA-N
XLogP1.66
TPSA42.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine?
The IUPAC name of (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine (CID 176921266) is (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine.
What is the SMILES notation for (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine?
The canonical SMILES for (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine is [H]/N=C(\C=C(\C)CCC)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine?
The InChIKey is NNVOXAAIZCPHGL-LZFZKRRQSA-N. The full InChI is InChI=1S/C17H32N4O/c1-3-4-16(2)15-17(18)21-9-7-19(8-10-21)5-6-20-11-13-22-14-12-20/h15,18H,3-14H2,1-2H3/b16-15-,18-17+.
What are the key properties of (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine?
(Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine has a molecular weight of 308.47 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]hex-2-en-1-imine is sourced from PubChem (CID 176921266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).