1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine

C30H32F2N2O — CID 24825337

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H32F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-4,7-14,21,30H,5-6,15-20,22H2
InChIKeyIBFVYMMHVWFRDD-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.72
Rot. Bonds8

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine (PubChem CID 24825337) has the molecular formula C30H32F2N2O and a molecular weight of 474.60 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine
PubChem CID24825337
Molecular FormulaC30H32F2N2O
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H32F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-4,7-14,21,30H,5-6,15-20,22H2
InChIKeyIBFVYMMHVWFRDD-UHFFFAOYSA-N
XLogP5.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine (CID 24825337) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine is Fc1ccc(C(OCCN2CCN(CC3=Cc4ccccc4CC3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine?
The InChIKey is IBFVYMMHVWFRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-4,7-14,21,30H,5-6,15-20,22H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine has a molecular weight of 474.60 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3,4-dihydronaphthalen-2-ylmethyl)piperazine is sourced from PubChem (CID 24825337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).