1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride

C28H36Cl2N2O — CID 11591218

IUPAC1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2ccc3ccccc3c2)CC1.Cl.Cl
InChIInChI=1S/C28H34N2O.2ClH/c1-31-28-13-5-11-26-23(9-4-12-27(26)28)10-6-16-29-17-19-30(20-18-29)25-15-14-22-7-2-3-8-24(22)21-25;;/h2-3,5,7-8,11,13-15,21,23H,4,6,9-10,12,16-20H2,1H3;2*1H
InChIKeyNUFONXKIZLKGGR-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.71
Rot. Bonds6

About 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride

1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride (PubChem CID 11591218) has the molecular formula C28H36Cl2N2O and a molecular weight of 487.52 g/mol. Its IUPAC name is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride
PubChem CID11591218
Molecular FormulaC28H36Cl2N2O
Molecular Weight487.52 g/mol
Exact Mass486.22
IUPAC Name1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride
SMILESCOc1cccc2c1CCCC2CCCN1CCN(c2ccc3ccccc3c2)CC1.Cl.Cl
InChIInChI=1S/C28H34N2O.2ClH/c1-31-28-13-5-11-26-23(9-4-12-27(26)28)10-6-16-29-17-19-30(20-18-29)25-15-14-22-7-2-3-8-24(22)21-25;;/h2-3,5,7-8,11,13-15,21,23H,4,6,9-10,12,16-20H2,1H3;2*1H
InChIKeyNUFONXKIZLKGGR-UHFFFAOYSA-N
XLogP6.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride 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-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride?
The IUPAC name of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride (CID 11591218) is 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride?
The canonical SMILES for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride is COc1cccc2c1CCCC2CCCN1CCN(c2ccc3ccccc3c2)CC1.Cl.Cl.
What is the InChIKey of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride?
The InChIKey is NUFONXKIZLKGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O.2ClH/c1-31-28-13-5-11-26-23(9-4-12-27(26)28)10-6-16-29-17-19-30(20-18-29)25-15-14-22-7-2-3-8-24(22)21-25;;/h2-3,5,7-8,11,13-15,21,23H,4,6,9-10,12,16-20H2,1H3;2*1H.
What are the key properties of 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride?
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride has a molecular weight of 487.52 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-4-naphthalen-2-ylpiperazine;dihydrochloride is sourced from PubChem (CID 11591218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).