4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline

C23H31N3O — CID 1376242

IUPAC4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
SMILESCCOc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-4-27-23-10-6-5-9-22(23)26-18-16-25(17-19-26)15-7-8-20-11-13-21(14-12-20)24(2)3/h5-14H,4,15-19H2,1-3H3/b8-7+
InChIKeyGOOLXMPLDKAKES-BQYQJAHWSA-N
MW365.52 g/mol
LogP3.99
Rot. Bonds7

About 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline

4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline (PubChem CID 1376242) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
PubChem CID1376242
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline
SMILESCCOc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-4-27-23-10-6-5-9-22(23)26-18-16-25(17-19-26)15-7-8-20-11-13-21(14-12-20)24(2)3/h5-14H,4,15-19H2,1-3H3/b8-7+
InChIKeyGOOLXMPLDKAKES-BQYQJAHWSA-N
XLogP3.99
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline (CID 1376242) is 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline is CCOc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
The InChIKey is GOOLXMPLDKAKES-BQYQJAHWSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-27-23-10-6-5-9-22(23)26-18-16-25(17-19-26)15-7-8-20-11-13-21(14-12-20)24(2)3/h5-14H,4,15-19H2,1-3H3/b8-7+.
What are the key properties of 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline?
4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline has a molecular weight of 365.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-1-enyl]-N,N-dimethylaniline is sourced from PubChem (CID 1376242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).