4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol

C17H19ClN4O2 — CID 162657251

IUPAC4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol
SMILESO/N=C/c1cc(Cl)cc(CN2CCN(c3ccncc3)CC2)c1O
InChIInChI=1S/C17H19ClN4O2/c18-15-9-13(11-20-24)17(23)14(10-15)12-21-5-7-22(8-6-21)16-1-3-19-4-2-16/h1-4,9-11,23-24H,5-8,12H2/b20-11+
InChIKeyHSRDSKPYSLWCCY-RGVLZGJSSA-N
MW346.82 g/mol
LogP2.57
Rot. Bonds4

About 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol

4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol (PubChem CID 162657251) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol
PubChem CID162657251
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol
SMILESO/N=C/c1cc(Cl)cc(CN2CCN(c3ccncc3)CC2)c1O
InChIInChI=1S/C17H19ClN4O2/c18-15-9-13(11-20-24)17(23)14(10-15)12-21-5-7-22(8-6-21)16-1-3-19-4-2-16/h1-4,9-11,23-24H,5-8,12H2/b20-11+
InChIKeyHSRDSKPYSLWCCY-RGVLZGJSSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 56603520
CID 56603520
CID 137270315
CID 137270315
CID 135659259
CID 135659259
CID 162651953
CID 162651953
CID 172440092
CID 172440092
CID 172440171
CID 172440171
CID 172448148
CID 172448148
CID 172454796
CID 172454796
CID 172468631
CID 172468631
CID 46316943
CID 46316943
CID 696544
CID 696544
CID 136319388
CID 136319388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol (CID 162657251) is 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol is O/N=C/c1cc(Cl)cc(CN2CCN(c3ccncc3)CC2)c1O.
What is the InChIKey of 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol?
The InChIKey is HSRDSKPYSLWCCY-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-15-9-13(11-20-24)17(23)14(10-15)12-21-5-7-22(8-6-21)16-1-3-19-4-2-16/h1-4,9-11,23-24H,5-8,12H2/b20-11+.
What are the key properties of 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol?
4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol has a molecular weight of 346.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 162657251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).