1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine

C21H28N2O — CID 751070

IUPAC1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESCOc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O/c1-24-21-11-5-9-20(17-21)18-23-15-13-22(14-16-23)12-6-10-19-7-3-2-4-8-19/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3
InChIKeyLZJMKUQXFWCVNF-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.45
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine

1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine (PubChem CID 751070) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
PubChem CID751070
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESCOc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O/c1-24-21-11-5-9-20(17-21)18-23-15-13-22(14-16-23)12-6-10-19-7-3-2-4-8-19/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3
InChIKeyLZJMKUQXFWCVNF-UHFFFAOYSA-N
XLogP3.45
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine (CID 751070) is 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is COc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
The InChIKey is LZJMKUQXFWCVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-24-21-11-5-9-20(17-21)18-23-15-13-22(14-16-23)12-6-10-19-7-3-2-4-8-19/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine?
1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine has a molecular weight of 324.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 751070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).