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

C26H26N2OS — CID 174363405

IUPAC1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
SMILESCN1CCN(c2cccc3ccc(OC(c4ccccc4)c4cccs4)cc23)CC1
InChIInChI=1S/C26H26N2OS/c1-27-14-16-28(17-15-27)24-10-5-9-20-12-13-22(19-23(20)24)29-26(25-11-6-18-30-25)21-7-3-2-4-8-21/h2-13,18-19,26H,14-17H2,1H3
InChIKeyOAUOMQQNXFCEHQ-UHFFFAOYSA-N
MW414.57 g/mol
LogP5.82
Rot. Bonds5

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

1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine (PubChem CID 174363405) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is 1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
PubChem CID174363405
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC Name1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine
SMILESCN1CCN(c2cccc3ccc(OC(c4ccccc4)c4cccs4)cc23)CC1
InChIInChI=1S/C26H26N2OS/c1-27-14-16-28(17-15-27)24-10-5-9-20-12-13-22(19-23(20)24)29-26(25-11-6-18-30-25)21-7-3-2-4-8-21/h2-13,18-19,26H,14-17H2,1H3
InChIKeyOAUOMQQNXFCEHQ-UHFFFAOYSA-N
XLogP5.82
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 55.82
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-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine (CID 174363405) is 1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine is CN1CCN(c2cccc3ccc(OC(c4ccccc4)c4cccs4)cc23)CC1.
What is the InChIKey of 1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine?
The InChIKey is OAUOMQQNXFCEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-27-14-16-28(17-15-27)24-10-5-9-20-12-13-22(19-23(20)24)29-26(25-11-6-18-30-25)21-7-3-2-4-8-21/h2-13,18-19,26H,14-17H2,1H3.
What are the key properties of 1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine?
1-methyl-4-[7-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine has a molecular weight of 414.57 g/mol, XLogP of 5.82, 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-[phenyl(thiophen-2-yl)methoxy]naphthalen-1-yl]piperazine is sourced from PubChem (CID 174363405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).