(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C26H25N3 — CID 6891657

IUPAC(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccc2ccccc12
InChIInChI=1S/C26H25N3/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-29-17-15-28(16-18-29)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14,19H,15-18,20H2/b27-19+
InChIKeyMNVTVMZNVKBHBQ-ZXVVBBHZSA-N
MW379.51 g/mol
LogP5.14
Rot. Bonds4

About (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 6891657) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID6891657
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccc2ccccc12
InChIInChI=1S/C26H25N3/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-29-17-15-28(16-18-29)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14,19H,15-18,20H2/b27-19+
InChIKeyMNVTVMZNVKBHBQ-ZXVVBBHZSA-N
XLogP5.14
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
CID 6886763
2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]-6-prop-2-enylphenol
CID 1361872
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine
CID 6869593
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(2,5-dimethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1358400
4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]benzoic acid
CID 1368833
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 2143797
(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 5414843
1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1368428
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 2870743
(E,E)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6899949

Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 6891657) is (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1cccc2ccccc12.
What is the InChIKey of (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is MNVTVMZNVKBHBQ-ZXVVBBHZSA-N. The full InChI is InChI=1S/C26H25N3/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-29-17-15-28(16-18-29)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14,19H,15-18,20H2/b27-19+.
What are the key properties of (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 379.51 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6891657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).