4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide

C21H35N5 — CID 110921127

IUPAC4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCCN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H35N5/c1-19-9-13-26(14-10-19)21(22)23-11-5-6-12-24-15-17-25(18-16-24)20-7-3-2-4-8-20/h2-4,7-8,19H,5-6,9-18H2,1H3,(H2,22,23)
InChIKeyGKIFQIWEQTZQJV-UHFFFAOYSA-N
MW357.55 g/mol
LogP2.64
Rot. Bonds6

About 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide

4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide (PubChem CID 110921127) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
PubChem CID110921127
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC Name4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCCCN2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H35N5/c1-19-9-13-26(14-10-19)21(22)23-11-5-6-12-24-15-17-25(18-16-24)20-7-3-2-4-8-20/h2-4,7-8,19H,5-6,9-18H2,1H3,(H2,22,23)
InChIKeyGKIFQIWEQTZQJV-UHFFFAOYSA-N
XLogP2.64
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide 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

N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
N',4-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111210597
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087
N'-[3-(4-phenylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111059099
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
ethyl 4-[[N'-[3-(4-phenylpiperazin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111059073
N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide
CID 75511967
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide (CID 110921127) is 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCCCN2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
The InChIKey is GKIFQIWEQTZQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-19-9-13-26(14-10-19)21(22)23-11-5-6-12-24-15-17-25(18-16-24)20-7-3-2-4-8-20/h2-4,7-8,19H,5-6,9-18H2,1H3,(H2,22,23).
What are the key properties of 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide?
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide has a molecular weight of 357.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110921127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).