1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine

C23H28N2O — CID 2244938

IUPAC1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine
SMILESC=CCOc1ccccc1CN1CCN(C/C=C\c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-2-19-26-23-13-7-6-12-22(23)20-25-17-15-24(16-18-25)14-8-11-21-9-4-3-5-10-21/h2-13H,1,14-20H2/b11-8-
InChIKeyBYNZQDIVKDEEJZ-FLIBITNWSA-N
MW348.49 g/mol
LogP4.08
Rot. Bonds8

About 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine

1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine (PubChem CID 2244938) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine
PubChem CID2244938
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine
SMILESC=CCOc1ccccc1CN1CCN(C/C=C\c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-2-19-26-23-13-7-6-12-22(23)20-25-17-15-24(16-18-25)14-8-11-21-9-4-3-5-10-21/h2-13H,1,14-20H2/b11-8-
InChIKeyBYNZQDIVKDEEJZ-FLIBITNWSA-N
XLogP4.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
4-(2-phenoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42440062
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
furan-2-yl-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-yl]methanone
CID 3861557
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1-[(2,4-difluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 2838695
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
(3S,4R)-4-phenyl-1-[(2-prop-2-enoxyphenyl)methyl]pyrrolidin-3-amine
CID 120769958
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine (CID 2244938) is 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine is C=CCOc1ccccc1CN1CCN(C/C=C\c2ccccc2)CC1.
What is the InChIKey of 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine?
The InChIKey is BYNZQDIVKDEEJZ-FLIBITNWSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-19-26-23-13-7-6-12-22(23)20-25-17-15-24(16-18-25)14-8-11-21-9-4-3-5-10-21/h2-13H,1,14-20H2/b11-8-.
What are the key properties of 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine?
1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine has a molecular weight of 348.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2244938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).