1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine

C25H32N2O2 — CID 10475634

IUPAC1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC/C=C2\CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H32N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,9-10,12-14H,5,7-8,11,15-19H2,1-2H3/b20-9+
InChIKeyKUQPEURUYNWBAE-AWQFTUOYSA-N
MW392.54 g/mol
LogP4.64
Rot. Bonds6

About 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine

1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 10475634) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID10475634
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC/C=C2\CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H32N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,9-10,12-14H,5,7-8,11,15-19H2,1-2H3/b20-9+
InChIKeyKUQPEURUYNWBAE-AWQFTUOYSA-N
XLogP4.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine (CID 10475634) is 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC/C=C2\CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is KUQPEURUYNWBAE-AWQFTUOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-28-24-14-6-10-21-20(8-5-11-22(21)24)9-7-15-26-16-18-27(19-17-26)23-12-3-4-13-25(23)29-2/h3-4,6,9-10,12-14H,5,7-8,11,15-19H2,1-2H3/b20-9+.
What are the key properties of 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine?
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 392.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 10475634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).