2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol

C19H23N3O2 — CID 135544868

IUPAC2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C(\C)c2ccccc2O)CC1
InChIInChI=1S/C19H23N3O2/c1-15(16-7-3-5-9-18(16)23)20-22-13-11-21(12-14-22)17-8-4-6-10-19(17)24-2/h3-10,23H,11-14H2,1-2H3/b20-15+
InChIKeyBGMIIVGOZQDOIA-HMMYKYKNSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds4

About 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol

2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 135544868) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
PubChem CID135544868
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C(\C)c2ccccc2O)CC1
InChIInChI=1S/C19H23N3O2/c1-15(16-7-3-5-9-18(16)23)20-22-13-11-21(12-14-22)17-8-4-6-10-19(17)24-2/h3-10,23H,11-14H2,1-2H3/b20-15+
InChIKeyBGMIIVGOZQDOIA-HMMYKYKNSA-N
XLogP2.95
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol (CID 135544868) is 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol is COc1ccccc1N1CCN(/N=C(\C)c2ccccc2O)CC1.
What is the InChIKey of 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is BGMIIVGOZQDOIA-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(16-7-3-5-9-18(16)23)20-22-13-11-21(12-14-22)17-8-4-6-10-19(17)24-2/h3-10,23H,11-14H2,1-2H3/b20-15+.
What are the key properties of 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol has a molecular weight of 325.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135544868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).