(Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine

C17H25N3O — CID 171081629

IUPAC(Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine
SMILESC=C/C(CCN1CCN(c2ccc(C)cc2)CC1)=N\OC
InChIInChI=1S/C17H25N3O/c1-4-16(18-21-3)9-10-19-11-13-20(14-12-19)17-7-5-15(2)6-8-17/h4-8H,1,9-14H2,2-3H3/b18-16+
InChIKeyZOTGQHKVJVRNES-FBMGVBCBSA-N
MW287.41 g/mol
LogP2.70
Rot. Bonds6

About (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine

(Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine (PubChem CID 171081629) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine
PubChem CID171081629
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine
SMILESC=C/C(CCN1CCN(c2ccc(C)cc2)CC1)=N\OC
InChIInChI=1S/C17H25N3O/c1-4-16(18-21-3)9-10-19-11-13-20(14-12-19)17-7-5-15(2)6-8-17/h4-8H,1,9-14H2,2-3H3/b18-16+
InChIKeyZOTGQHKVJVRNES-FBMGVBCBSA-N
XLogP2.70
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine 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

1-[(Z)-2-methylbut-2-enyl]-4-(4-methylphenyl)piperazine
CID 782041
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033747
N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 118857776
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
1-[2-(4-tert-butylpiperidin-1-yl)ethyl]-4-(4-methylphenyl)piperazine
CID 171069605
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine?
The IUPAC name of (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine (CID 171081629) is (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine.
What is the SMILES notation for (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine?
The canonical SMILES for (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine is C=C/C(CCN1CCN(c2ccc(C)cc2)CC1)=N\OC.
What is the InChIKey of (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine?
The InChIKey is ZOTGQHKVJVRNES-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-16(18-21-3)9-10-19-11-13-20(14-12-19)17-7-5-15(2)6-8-17/h4-8H,1,9-14H2,2-3H3/b18-16+.
What are the key properties of (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine?
(Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine has a molecular weight of 287.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-5-[4-(4-methylphenyl)piperazin-1-yl]pent-1-en-3-imine is sourced from PubChem (CID 171081629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).