N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine

C24H37N3O — CID 3061113

IUPACN-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine
SMILESCCCC=C1CCCCC1=NOCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22/h4-6,10-12H,2-3,7-9,13-21H2,1H3
InChIKeyUBFBGLHWIMCTEG-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.87
Rot. Bonds9

About N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine

N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine (PubChem CID 3061113) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine
PubChem CID3061113
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine
SMILESCCCC=C1CCCCC1=NOCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22/h4-6,10-12H,2-3,7-9,13-21H2,1H3
InChIKeyUBFBGLHWIMCTEG-UHFFFAOYSA-N
XLogP4.87
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine (CID 3061113) is N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine is CCCC=C1CCCCC1=NOCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine?
The InChIKey is UBFBGLHWIMCTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-2-3-12-23-13-7-8-14-24(23)25-28-20-9-15-26-16-18-27(19-17-26)21-22-10-5-4-6-11-22/h4-6,10-12H,2-3,7-9,13-21H2,1H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine?
N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine has a molecular weight of 383.58 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propoxy]-2-butylidenecyclohexan-1-imine is sourced from PubChem (CID 3061113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).