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

C23H30N2O — CID 10617865

IUPAC1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCC(CCN1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C23H30N2O/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/h2-9,19H,10-18H2,1H3
InChIKeyYSEIEOUPJDUMFS-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.01
Rot. Bonds5

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

1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine (PubChem CID 10617865) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
PubChem CID10617865
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine
SMILESCOc1cccc2c1CCC(CCN1CCN(c3ccccc3)CC1)C2
InChIInChI=1S/C23H30N2O/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/h2-9,19H,10-18H2,1H3
InChIKeyYSEIEOUPJDUMFS-UHFFFAOYSA-N
XLogP4.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine (CID 10617865) is 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine is COc1cccc2c1CCC(CCN1CCN(c3ccccc3)CC1)C2.
What is the InChIKey of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
The InChIKey is YSEIEOUPJDUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/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/h2-9,19H,10-18H2,1H3.
What are the key properties of 1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine?
1-[2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 4.01, 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-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 10617865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).