1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine

C28H29N3O — CID 22115569

IUPAC1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
SMILESCc1cc(-c2ccccc2)cc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1
InChIInChI=1S/C28H29N3O/c1-21-17-24(22-7-4-3-5-8-22)18-25(29-21)20-32-26-12-11-23-9-6-10-28(27(23)19-26)31-15-13-30(2)14-16-31/h3-12,17-19H,13-16,20H2,1-2H3
InChIKeyNFHHKHWPJQPVLE-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.54
Rot. Bonds5

About 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine

1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine (PubChem CID 22115569) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
PubChem CID22115569
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC Name1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
SMILESCc1cc(-c2ccccc2)cc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1
InChIInChI=1S/C28H29N3O/c1-21-17-24(22-7-4-3-5-8-22)18-25(29-21)20-32-26-12-11-23-9-6-10-28(27(23)19-26)31-15-13-30(2)14-16-31/h3-12,17-19H,13-16,20H2,1-2H3
InChIKeyNFHHKHWPJQPVLE-UHFFFAOYSA-N
XLogP5.54
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine (CID 22115569) is 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine is Cc1cc(-c2ccccc2)cc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)n1.
What is the InChIKey of 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
The InChIKey is NFHHKHWPJQPVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-21-17-24(22-7-4-3-5-8-22)18-25(29-21)20-32-26-12-11-23-9-6-10-28(27(23)19-26)31-15-13-30(2)14-16-31/h3-12,17-19H,13-16,20H2,1-2H3.
What are the key properties of 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine has a molecular weight of 423.56 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 22115569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).