4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol

C16H23N3O2 — CID 136934970

IUPAC4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/N2CCN(C3CCCC3)CC2)c(O)c1
InChIInChI=1S/C16H23N3O2/c20-15-6-5-13(16(21)11-15)12-17-19-9-7-18(8-10-19)14-3-1-2-4-14/h5-6,11-12,14,20-21H,1-4,7-10H2/b17-12+
InChIKeyKFDDUIMMXYGZBQ-SFQUDFHCSA-N
MW289.38 g/mol
LogP1.99
Rot. Bonds3

About 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol

4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol (PubChem CID 136934970) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
PubChem CID136934970
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/N2CCN(C3CCCC3)CC2)c(O)c1
InChIInChI=1S/C16H23N3O2/c20-15-6-5-13(16(21)11-15)12-17-19-9-7-18(8-10-19)14-3-1-2-4-14/h5-6,11-12,14,20-21H,1-4,7-10H2/b17-12+
InChIKeyKFDDUIMMXYGZBQ-SFQUDFHCSA-N
XLogP1.99
TPSA59.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol 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

4-((Cyclohexylimino)methyl)benzene-1,3-diol
CID 796887
4-[(E)-piperidin-1-yliminomethyl]benzene-1,3-diol
CID 135684063
4-({[4-(9H-fluoren-9-yl)-1-piperazinyl]imino}methyl)-1,3-benzenediol
CID 135433281
4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
CID 135548604
(4E)-2,3-dihydroxy-4-[(piperidin-1-ylamino)methylidene]cyclohexa-2,5-dien-1-one
CID 135716008
2-[(E)-piperidin-1-yliminomethyl]phenol
CID 135519984
4-[(1-Benzylpiperidin-4-yl)iminomethyl]benzene-1,3-diol
CID 155556840
4-[(1-Benzylpyrrolidin-3-yl)iminomethyl]benzene-1,3-diol
CID 162662518
4-(((4-Benzyl-1-piperazinyl)imino)methyl)-1,3-benzenediol
CID 135603178
4-[(E)-[4-(2-phenylethyl)piperazin-1-yl]iminomethyl]benzene-1,3-diol
CID 136934968
4-[(E)-(4-cyclohexylpiperazin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934969
4-[(E)-(4-phenylpiperidin-1-yl)iminomethyl]benzene-1,3-diol
CID 136934971

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol (CID 136934970) is 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/N2CCN(C3CCCC3)CC2)c(O)c1.
What is the InChIKey of 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol?
The InChIKey is KFDDUIMMXYGZBQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-6-5-13(16(21)11-15)12-17-19-9-7-18(8-10-19)14-3-1-2-4-14/h5-6,11-12,14,20-21H,1-4,7-10H2/b17-12+.
What are the key properties of 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol?
4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol has a molecular weight of 289.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 136934970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).