1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine

C15H22N2O — CID 95457646

IUPAC1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
SMILESCCOc1ccc(/C=C/CN2CCNCC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-18-15-7-5-14(6-8-15)4-3-11-17-12-9-16-10-13-17/h3-8,16H,2,9-13H2,1H3/b4-3+
InChIKeyCZBJRHYIFHWTKJ-ONEGZZNKSA-N
MW246.35 g/mol
LogP2.00
Rot. Bonds5

About 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine

1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine (PubChem CID 95457646) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
PubChem CID95457646
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
SMILESCCOc1ccc(/C=C/CN2CCNCC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-18-15-7-5-14(6-8-15)4-3-11-17-12-9-16-10-13-17/h3-8,16H,2,9-13H2,1H3/b4-3+
InChIKeyCZBJRHYIFHWTKJ-ONEGZZNKSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]-1,4-diazepane
CID 95466896
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
1-[[4-[3-(4-propan-2-ylphenoxy)prop-1-enyl]phenyl]methyl]piperazine;dihydrochloride
CID 67328696
1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine
CID 82304677
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465
4-(4-ethoxyphenyl)-N-methylbut-3-en-1-amine
CID 79593374
1-[[1-(4-ethoxyphenyl)cyclopropyl]methyl]piperazine
CID 94692817
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
CID 68905693
5-(4-ethoxyphenyl)pent-4-enoic acid
CID 54525695
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine (CID 95457646) is 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine is CCOc1ccc(/C=C/CN2CCNCC2)cc1.
What is the InChIKey of 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine?
The InChIKey is CZBJRHYIFHWTKJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-18-15-7-5-14(6-8-15)4-3-11-17-12-9-16-10-13-17/h3-8,16H,2,9-13H2,1H3/b4-3+.
What are the key properties of 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine?
1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 95457646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).