1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine

C22H28N2O — CID 11674450

IUPAC1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
SMILESCOc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)CCC2
InChIInChI=1S/C22H28N2O/c1-23-12-14-24(15-13-23)21-8-5-6-17-10-11-18(16-20(17)21)19-7-3-4-9-22(19)25-2/h3-4,7,9-11,16,21H,5-6,8,12-15H2,1-2H3
InChIKeyHLTVNWHGCFDKEN-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.99
Rot. Bonds3

About 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine

1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine (PubChem CID 11674450) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
PubChem CID11674450
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
SMILESCOc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)CCC2
InChIInChI=1S/C22H28N2O/c1-23-12-14-24(15-13-23)21-8-5-6-17-10-11-18(16-20(17)21)19-7-3-4-9-22(19)25-2/h3-4,7,9-11,16,21H,5-6,8,12-15H2,1-2H3
InChIKeyHLTVNWHGCFDKEN-UHFFFAOYSA-N
XLogP3.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
The IUPAC name of 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine (CID 11674450) is 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
The canonical SMILES for 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine is COc1ccccc1-c1ccc2c(c1)C(N1CCN(C)CC1)CCC2.
What is the InChIKey of 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
The InChIKey is HLTVNWHGCFDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-23-12-14-24(15-13-23)21-8-5-6-17-10-11-18(16-20(17)21)19-7-3-4-9-22(19)25-2/h3-4,7,9-11,16,21H,5-6,8,12-15H2,1-2H3.
What are the key properties of 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine?
1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine has a molecular weight of 336.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine is sourced from PubChem (CID 11674450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).