N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine

C24H25N3 — CID 2870743

IUPACN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESC(=Cc1ccccc1)C=NN1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H25N3/c1-2-8-21(9-3-1)10-7-15-25-27-18-16-26(17-19-27)20-23-13-6-12-22-11-4-5-14-24(22)23/h1-15H,16-20H2
InChIKeyGDUPRQHWKMSZPF-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.66
Rot. Bonds5

About N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine

N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine (PubChem CID 2870743) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
PubChem CID2870743
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC NameN-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
SMILESC(=Cc1ccccc1)C=NN1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H25N3/c1-2-8-21(9-3-1)10-7-15-25-27-18-16-26(17-19-27)20-23-13-6-12-22-11-4-5-14-24(22)23/h1-15H,16-20H2
InChIKeyGDUPRQHWKMSZPF-UHFFFAOYSA-N
XLogP4.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342860
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-phenylphenyl)methanimine
CID 6869593
(E,E)-2-bromo-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6899949
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6891657
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]benzoic acid
CID 1368833
1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1368428
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 2143797
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
CID 6886763
(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 5414843
2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]-6-prop-2-enylphenol
CID 1361872

Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The IUPAC name of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine (CID 2870743) is N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine.
What is the SMILES notation for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The canonical SMILES for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine is C(=Cc1ccccc1)C=NN1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
The InChIKey is GDUPRQHWKMSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-2-8-21(9-3-1)10-7-15-25-27-18-16-26(17-19-27)20-23-13-6-12-22-11-4-5-14-24(22)23/h1-15H,16-20H2.
What are the key properties of N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine?
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine has a molecular weight of 355.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 2870743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).