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

C29H29N3O — CID 5343519

IUPAC(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O/c1-2-7-25(8-3-1)23-33-28-15-13-24(14-16-28)21-30-32-19-17-31(18-20-32)22-27-11-6-10-26-9-4-5-12-29(26)27/h1-16,21H,17-20,22-23H2/b30-21+
InChIKeyFLBIGQDCIHPLRM-MWAVMZGNSA-N
MW435.57 g/mol
LogP5.57
Rot. Bonds7

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

(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine (PubChem CID 5343519) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine
PubChem CID5343519
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine
SMILESC(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H29N3O/c1-2-7-25(8-3-1)23-33-28-15-13-24(14-16-28)21-30-32-19-17-31(18-20-32)22-27-11-6-10-26-9-4-5-12-29(26)27/h1-16,21H,17-20,22-23H2/b30-21+
InChIKeyFLBIGQDCIHPLRM-MWAVMZGNSA-N
XLogP5.57
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-phenylmethoxyphenyl)methanimine?
The IUPAC name of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine (CID 5343519) is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine is C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine?
The InChIKey is FLBIGQDCIHPLRM-MWAVMZGNSA-N. The full InChI is InChI=1S/C29H29N3O/c1-2-7-25(8-3-1)23-33-28-15-13-24(14-16-28)21-30-32-19-17-31(18-20-32)22-27-11-6-10-26-9-4-5-12-29(26)27/h1-16,21H,17-20,22-23H2/b30-21+.
What are the key properties of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine?
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine has a molecular weight of 435.57 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 5343519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).