1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine

C27H30N2O3 — CID 139609526

IUPAC1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(CCc3ccc(OC)c4c3-c3ccccc3CO4)CC2)c1
InChIInChI=1S/C27H30N2O3/c1-30-23-8-5-7-22(18-23)29-16-14-28(15-17-29)13-12-20-10-11-25(31-2)27-26(20)24-9-4-3-6-21(24)19-32-27/h3-11,18H,12-17,19H2,1-2H3
InChIKeyQXFDRUJYOWKJGJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.63
Rot. Bonds6

About 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine

1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 139609526) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine
PubChem CID139609526
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(CCc3ccc(OC)c4c3-c3ccccc3CO4)CC2)c1
InChIInChI=1S/C27H30N2O3/c1-30-23-8-5-7-22(18-23)29-16-14-28(15-17-29)13-12-20-10-11-25(31-2)27-26(20)24-9-4-3-6-21(24)19-32-27/h3-11,18H,12-17,19H2,1-2H3
InChIKeyQXFDRUJYOWKJGJ-UHFFFAOYSA-N
XLogP4.63
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine (CID 139609526) is 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(CCc3ccc(OC)c4c3-c3ccccc3CO4)CC2)c1.
What is the InChIKey of 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is QXFDRUJYOWKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-30-23-8-5-7-22(18-23)29-16-14-28(15-17-29)13-12-20-10-11-25(31-2)27-26(20)24-9-4-3-6-21(24)19-32-27/h3-11,18H,12-17,19H2,1-2H3.
What are the key properties of 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine?
1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 430.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-6H-benzo[c]chromen-1-yl)ethyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 139609526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).