1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine

C22H34N2O — CID 137417502

IUPAC1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine
SMILESCC/C=C(/COC)N1CCN(C/C(C)=C/c2ccc(C)cc2C)CC1
InChIInChI=1S/C22H34N2O/c1-6-7-22(17-25-5)24-12-10-23(11-13-24)16-19(3)15-21-9-8-18(2)14-20(21)4/h7-9,14-15H,6,10-13,16-17H2,1-5H3/b19-15+,22-7-
InChIKeySNJIUQODUPYJBU-NSFCZBFRSA-N
MW342.53 g/mol
LogP4.26
Rot. Bonds7

About 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine

1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine (PubChem CID 137417502) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine
PubChem CID137417502
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine
SMILESCC/C=C(/COC)N1CCN(C/C(C)=C/c2ccc(C)cc2C)CC1
InChIInChI=1S/C22H34N2O/c1-6-7-22(17-25-5)24-12-10-23(11-13-24)16-19(3)15-21-9-8-18(2)14-20(21)4/h7-9,14-15H,6,10-13,16-17H2,1-5H3/b19-15+,22-7-
InChIKeySNJIUQODUPYJBU-NSFCZBFRSA-N
XLogP4.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine with MolForge

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Related Compounds

4-[(Z)-4-(2,3-dimethylphenyl)pent-2-en-2-yl]morpholine
CID 90265156
(1E,3E)-2-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylpenta-1,3-dien-1-amine
CID 134379190
4-[1,2-dimethyl-5-(2-methyl-5-prop-1-en-2-ylphenyl)-2H-pyridin-3-yl]-1,4-oxazepane
CID 134380053
4-[(Z)-1-(2,4-dimethylphenyl)prop-1-enyl]morpholine;ethane
CID 142144914
4-[4-(5-Ethenyl-2-methylphenyl)penta-1,4-dien-2-yl]morpholine
CID 144458348
4-[(E)-3-[3-[(2E,4Z)-5-ethyl-4-methylhepta-2,4,6-trien-3-yl]-2-methylphenyl]prop-2-enyl]morpholine
CID 146437950
4-[6-[(3,4-Dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine
CID 151998040
4-[2-(2,4,6-Trimethylphenyl)ethenyl]morpholine
CID 71443817
4,5-dimethyl-2-[[(8E,14E)-3,10,15-trimethyl-6,7-dihydro-5H-pyrido[1,2-c][3]benzazecin-14-yl]methyl]morpholine
CID 153560856

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine (CID 137417502) is 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine is CC/C=C(/COC)N1CCN(C/C(C)=C/c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine?
The InChIKey is SNJIUQODUPYJBU-NSFCZBFRSA-N. The full InChI is InChI=1S/C22H34N2O/c1-6-7-22(17-25-5)24-12-10-23(11-13-24)16-19(3)15-21-9-8-18(2)14-20(21)4/h7-9,14-15H,6,10-13,16-17H2,1-5H3/b19-15+,22-7-.
What are the key properties of 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine?
1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine has a molecular weight of 342.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2,4-dimethylphenyl)-2-methylprop-2-enyl]-4-[(Z)-1-methoxypent-2-en-2-yl]piperazine is sourced from PubChem (CID 137417502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).