4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol

C22H25N3O — CID 5061584

IUPAC4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol
SMILESCN1CCN(N=C2C=C(c3ccccc3)C(O)(c3ccccc3)C2)CC1
InChIInChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)23-20-16-21(18-8-4-2-5-9-18)22(26,17-20)19-10-6-3-7-11-19/h2-11,16,26H,12-15,17H2,1H3
InChIKeyFBAQZZULBQJRCE-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.96
Rot. Bonds3

About 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol

4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol (PubChem CID 5061584) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol
PubChem CID5061584
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol
SMILESCN1CCN(N=C2C=C(c3ccccc3)C(O)(c3ccccc3)C2)CC1
InChIInChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)23-20-16-21(18-8-4-2-5-9-18)22(26,17-20)19-10-6-3-7-11-19/h2-11,16,26H,12-15,17H2,1H3
InChIKeyFBAQZZULBQJRCE-UHFFFAOYSA-N
XLogP2.96
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol (CID 5061584) is 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol is CN1CCN(N=C2C=C(c3ccccc3)C(O)(c3ccccc3)C2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol?
The InChIKey is FBAQZZULBQJRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)23-20-16-21(18-8-4-2-5-9-18)22(26,17-20)19-10-6-3-7-11-19/h2-11,16,26H,12-15,17H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol?
4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol has a molecular weight of 347.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)imino-1,2-diphenylcyclopent-2-en-1-ol is sourced from PubChem (CID 5061584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).