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

C28H27N3 — CID 6869593

IUPAC(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27N3/c1-2-7-24(8-3-1)25-15-13-23(14-16-25)21-29-31-19-17-30(18-20-31)22-27-11-6-10-26-9-4-5-12-28(26)27/h1-16,21H,17-20,22H2/b29-21+
InChIKeyBALHNVSZUFSSKM-XHLNEMQHSA-N
MW405.55 g/mol
LogP5.66
Rot. Bonds5

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

(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine (PubChem CID 6869593) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine
PubChem CID6869593
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H27N3/c1-2-7-24(8-3-1)25-15-13-23(14-16-25)21-29-31-19-17-30(18-20-31)22-27-11-6-10-26-9-4-5-12-28(26)27/h1-16,21H,17-20,22H2/b29-21+
InChIKeyBALHNVSZUFSSKM-XHLNEMQHSA-N
XLogP5.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.66
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
The IUPAC name of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine (CID 6869593) is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
The canonical SMILES for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine is C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
The InChIKey is BALHNVSZUFSSKM-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H27N3/c1-2-7-24(8-3-1)25-15-13-23(14-16-25)21-29-31-19-17-30(18-20-31)22-27-11-6-10-26-9-4-5-12-28(26)27/h1-16,21H,17-20,22H2/b29-21+.
What are the key properties of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine?
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine has a molecular weight of 405.55 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine is sourced from PubChem (CID 6869593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).