1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine

C20H24N2O — CID 783076

IUPAC1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine
SMILESCOc1ccccc1/C=C/CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-23-20-12-6-5-8-18(20)9-7-13-21-14-16-22(17-15-21)19-10-3-2-4-11-19/h2-12H,13-17H2,1H3/b9-7+
InChIKeyCCXUDQMIVZGORY-VQHVLOKHSA-N
MW308.43 g/mol
LogP3.53
Rot. Bonds5

About 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine

1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine (PubChem CID 783076) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine
PubChem CID783076
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine
SMILESCOc1ccccc1/C=C/CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-23-20-12-6-5-8-18(20)9-7-13-21-14-16-22(17-15-21)19-10-3-2-4-11-19/h2-12H,13-17H2,1H3/b9-7+
InChIKeyCCXUDQMIVZGORY-VQHVLOKHSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine?
The IUPAC name of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine (CID 783076) is 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine is COc1ccccc1/C=C/CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine?
The InChIKey is CCXUDQMIVZGORY-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-20-12-6-5-8-18(20)9-7-13-21-14-16-22(17-15-21)19-10-3-2-4-11-19/h2-12H,13-17H2,1H3/b9-7+.
What are the key properties of 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine?
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine has a molecular weight of 308.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-phenylpiperazine is sourced from PubChem (CID 783076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).