1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine

C23H28N2O — CID 10760170

IUPAC1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCC(CCN1CCN(c3ccccc3)CC1)=C2
InChIInChI=1S/C23H28N2O/c1-26-23-9-5-6-20-18-19(10-11-22(20)23)12-13-24-14-16-25(17-15-24)21-7-3-2-4-8-21/h2-9,18H,10-17H2,1H3
InChIKeyCQXXOUAHPSOSEL-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.24
Rot. Bonds5

About 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine

1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine (PubChem CID 10760170) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
PubChem CID10760170
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCC(CCN1CCN(c3ccccc3)CC1)=C2
InChIInChI=1S/C23H28N2O/c1-26-23-9-5-6-20-18-19(10-11-22(20)23)12-13-24-14-16-25(17-15-24)21-7-3-2-4-8-21/h2-9,18H,10-17H2,1H3
InChIKeyCQXXOUAHPSOSEL-UHFFFAOYSA-N
XLogP4.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine (CID 10760170) is 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine is COc1cccc2c1CCC(CCN1CCN(c3ccccc3)CC1)=C2.
What is the InChIKey of 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The InChIKey is CQXXOUAHPSOSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-26-23-9-5-6-20-18-19(10-11-22(20)23)12-13-24-14-16-25(17-15-24)21-7-3-2-4-8-21/h2-9,18H,10-17H2,1H3.
What are the key properties of 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine has a molecular weight of 348.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-3,4-dihydronaphthalen-2-yl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 10760170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).