4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol

C23H25N3O — CID 135426059

IUPAC4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(O)cc1
InChIInChI=1S/C23H25N3O/c1-18(19-9-11-22(27)12-10-19)24-26-15-13-25(14-16-26)17-21-7-4-6-20-5-2-3-8-23(20)21/h2-12,27H,13-17H2,1H3/b24-18+
InChIKeyVKGRJKMOJVGVHB-HKOYGPOVSA-N
MW359.47 g/mol
LogP4.09
Rot. Bonds4

About 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol

4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol (PubChem CID 135426059) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol
PubChem CID135426059
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(O)cc1
InChIInChI=1S/C23H25N3O/c1-18(19-9-11-22(27)12-10-19)24-26-15-13-25(14-16-26)17-21-7-4-6-20-5-2-3-8-23(20)21/h2-12,27H,13-17H2,1H3/b24-18+
InChIKeyVKGRJKMOJVGVHB-HKOYGPOVSA-N
XLogP4.09
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol
CID 156612931
1-{[4-(3-Phenyl-2-propen-1-yl)-1-piperazinyl]methyl}-2-naphthol
CID 2213235
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}phenol
CID 135576688
4-{[(E)-4-(9H-Fluoren-9-yl)-piperazin-1-ylimino]-methyl}-phenol
CID 135505981
4-[2-Methyl-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136233006
4-[[methyl-[(1S)-1-naphthalen-1-ylethyl]amino]methyl]phenol
CID 165122781
Phenol, 4-(((3,4-dihydro-2(1H)-isoquinolinyl)imino)methyl)-
CID 135770280
2,4-Diiodo-6-(((4-(1-naphthylmethyl)-1-piperazinyl)imino)methyl)phenol
CID 135421205
4-[2-Methyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136233016
1-{[(4-Benzylpiperazin-1-yl)imino]methyl}naphthalen-2-ol
CID 426269
1-[(4-Benzylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 680550
2-[({4-[(2,4-Dimethylphenyl)methyl]piperazin-1-YL}imino)methyl]phenol
CID 879214

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
The IUPAC name of 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol (CID 135426059) is 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol is C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
The InChIKey is VKGRJKMOJVGVHB-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18(19-9-11-22(27)12-10-19)24-26-15-13-25(14-16-26)17-21-7-4-6-20-5-2-3-8-23(20)21/h2-12,27H,13-17H2,1H3/b24-18+.
What are the key properties of 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol has a molecular weight of 359.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol is sourced from PubChem (CID 135426059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).