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

C19H22ClN3O — CID 135642166

IUPAC4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/N1CCN(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/b21-15-
InChIKeyOQCKNQIMERPKIZ-QNGOZBTKSA-N
MW343.86 g/mol
LogP3.59
Rot. Bonds4

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

4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 135642166) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
PubChem CID135642166
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/N1CCN(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/b21-15-
InChIKeyOQCKNQIMERPKIZ-QNGOZBTKSA-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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Related Compounds

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 3508048
(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride
CID 44726035
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3455972
(E)-1-naphthalen-2-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine
CID 7430293
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
CID 5413986
(E,E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 6861828
(Z,E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 5450185
(Z,Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 5450186
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-naphthalen-2-ylethanimine
CID 6082743
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxyphenyl)ethanimine
CID 6960710

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol (CID 135642166) is 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol is C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is OQCKNQIMERPKIZ-QNGOZBTKSA-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/b21-15-.
What are the key properties of 4-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
4-[(Z)-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-[(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135642166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).