4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol

C19H22ClN3O — CID 761378

IUPAC4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCC(=NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(16-6-8-18(24)9-7-16)21-23-12-10-22(11-13-23)14-17-4-2-3-5-19(17)20/h2-9,24H,10-14H2,1H3
InChIKeyOQCKNQIMERPKIZ-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.59
Rot. Bonds4

About 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol

4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 761378) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
PubChem CID761378
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCC(=NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H22ClN3O/c1-15(16-6-8-18(24)9-7-16)21-23-12-10-22(11-13-23)14-17-4-2-3-5-19(17)20/h2-9,24H,10-14H2,1H3
InChIKeyOQCKNQIMERPKIZ-UHFFFAOYSA-N
XLogP3.59
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol (CID 761378) is 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol is CC(=NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is OQCKNQIMERPKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-15(16-6-8-18(24)9-7-16)21-23-12-10-22(11-13-23)14-17-4-2-3-5-19(17)20/h2-9,24H,10-14H2,1H3.
What are the key properties of 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol has a molecular weight of 343.86 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 761378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).