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

C23H25N3O — CID 135492309

IUPAC2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1O
InChIInChI=1S/C23H25N3O/c1-18(21-10-4-5-12-23(21)27)24-26-15-13-25(14-16-26)17-20-9-6-8-19-7-2-3-11-22(19)20/h2-12,27H,13-17H2,1H3/b24-18+
InChIKeyZITRVRHEEJBNHL-HKOYGPOVSA-N
MW359.47 g/mol
LogP4.09
Rot. Bonds4

About 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol

2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol (PubChem CID 135492309) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol
PubChem CID135492309
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1O
InChIInChI=1S/C23H25N3O/c1-18(21-10-4-5-12-23(21)27)24-26-15-13-25(14-16-26)17-20-9-6-8-19-7-2-3-11-22(19)20/h2-12,27H,13-17H2,1H3/b24-18+
InChIKeyZITRVRHEEJBNHL-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_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-{[4-(3-Phenyl-2-propen-1-yl)-1-piperazinyl]methyl}-2-naphthol
CID 2213235
N-[3-(2-methoxyphenyl)-2-propen-1-ylidene]-4-(1-naphthylmethyl)-1-piperazinamine
CID 6862797
4-Bromo-2-(((4-(1-naphthylmethyl)-1-piperazinyl)imino)methyl)phenol
CID 135519231
Stk326422
CID 745974
Phenol, 2-(((3,4-dihydro-2(1H)-isoquinolinyl)imino)methyl)-
CID 135770281
4-{(1Z)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135426059
2,4-Diiodo-6-(((4-(1-naphthylmethyl)-1-piperazinyl)imino)methyl)phenol
CID 135421205
1-[(3,5-Dimethylphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
CID 127028828
1-[(4-Ethylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 700907
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 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
The IUPAC name of 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol (CID 135492309) is 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol is C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1O.
What is the InChIKey of 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
The InChIKey is ZITRVRHEEJBNHL-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18(21-10-4-5-12-23(21)27)24-26-15-13-25(14-16-26)17-20-9-6-8-19-7-2-3-11-22(19)20/h2-12,27H,13-17H2,1H3/b24-18+.
What are the key properties of 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol?
2-[(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 2-[(E)-C-methyl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbonimidoyl]phenol is sourced from PubChem (CID 135492309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).