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

C19H23N3O2 — CID 135877641

IUPAC4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C(/C)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(16-7-9-17(23)10-8-16)20-22-13-11-21(12-14-22)18-5-3-4-6-19(18)24-2/h3-10,23H,11-14H2,1-2H3/b20-15-
InChIKeyPTIIBZDTRPVUJW-HKWRFOASSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds4

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

4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 135877641) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
PubChem CID135877641
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccccc1N1CCN(/N=C(/C)c2ccc(O)cc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(16-7-9-17(23)10-8-16)20-22-13-11-21(12-14-22)18-5-3-4-6-19(18)24-2/h3-10,23H,11-14H2,1-2H3/b20-15-
InChIKeyPTIIBZDTRPVUJW-HKWRFOASSA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 761172
1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 1353948
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 681522
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914
N-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 877014
methyl 4-[(Z)-[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]benzoate
CID 5344505
1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 59020784
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
(E,Z)-2-chloro-N-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6878409

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol (CID 135877641) is 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol is COc1ccccc1N1CCN(/N=C(/C)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is PTIIBZDTRPVUJW-HKWRFOASSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(16-7-9-17(23)10-8-16)20-22-13-11-21(12-14-22)18-5-3-4-6-19(18)24-2/h3-10,23H,11-14H2,1-2H3/b20-15-.
What are the key properties of 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol?
4-[(Z)-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 4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135877641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).