(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine

C27H27N3 — CID 7430293

IUPAC(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N3/c1-21(24-14-13-22-7-2-3-9-25(22)19-24)28-30-17-15-29(16-18-30)20-26-11-6-10-23-8-4-5-12-27(23)26/h2-14,19H,15-18,20H2,1H3/b28-21+
InChIKeyVRJUIKWCIPCTJR-SGWCAAJKSA-N
MW393.53 g/mol
LogP5.53
Rot. Bonds4

About (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine

(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine (PubChem CID 7430293) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
PubChem CID7430293
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C27H27N3/c1-21(24-14-13-22-7-2-3-9-25(22)19-24)28-30-17-15-29(16-18-30)20-26-11-6-10-23-8-4-5-12-27(23)26/h2-14,19H,15-18,20H2,1H3/b28-21+
InChIKeyVRJUIKWCIPCTJR-SGWCAAJKSA-N
XLogP5.53
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine
CID 761617
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine
CID 6082743
(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride
CID 44726035
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135642166
4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]benzoic acid
CID 1368833
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
CID 5413986
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6891657
1-(3-methoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 1368428
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
(Z)-1-(3-methylthiophen-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 5414843
(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-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
The IUPAC name of (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine (CID 7430293) is (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine.
What is the SMILES notation for (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
The canonical SMILES for (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine is C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
The InChIKey is VRJUIKWCIPCTJR-SGWCAAJKSA-N. The full InChI is InChI=1S/C27H27N3/c1-21(24-14-13-22-7-2-3-9-25(22)19-24)28-30-17-15-29(16-18-30)20-26-11-6-10-23-8-4-5-12-27(23)26/h2-14,19H,15-18,20H2,1H3/b28-21+.
What are the key properties of (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine?
(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine has a molecular weight of 393.53 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine is sourced from PubChem (CID 7430293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).