(Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine

C22H27N3 — CID 5392053

IUPAC(Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESCC(/C=N\N1CCN(Cc2ccc(C)cc2)CC1)=C\c1ccccc1
InChIInChI=1S/C22H27N3/c1-19-8-10-22(11-9-19)18-24-12-14-25(15-13-24)23-17-20(2)16-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3/b20-16+,23-17-
InChIKeyUOHOVYKBZWJONO-CSEVQEJTSA-N
MW333.48 g/mol
LogP4.20
Rot. Bonds5

About (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine

(Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine (PubChem CID 5392053) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
PubChem CID5392053
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name(Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESCC(/C=N\N1CCN(Cc2ccc(C)cc2)CC1)=C\c1ccccc1
InChIInChI=1S/C22H27N3/c1-19-8-10-22(11-9-19)18-24-12-14-25(15-13-24)23-17-20(2)16-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3/b20-16+,23-17-
InChIKeyUOHOVYKBZWJONO-CSEVQEJTSA-N
XLogP4.20
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The IUPAC name of (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine (CID 5392053) is (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The canonical SMILES for (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is CC(/C=N\N1CCN(Cc2ccc(C)cc2)CC1)=C\c1ccccc1.
What is the InChIKey of (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The InChIKey is UOHOVYKBZWJONO-CSEVQEJTSA-N. The full InChI is InChI=1S/C22H27N3/c1-19-8-10-22(11-9-19)18-24-12-14-25(15-13-24)23-17-20(2)16-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3/b20-16+,23-17-.
What are the key properties of (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine?
(Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine has a molecular weight of 333.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-2-methyl-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 5392053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).