4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide

C20H33N5 — CID 110919839

IUPAC4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(CN3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C20H33N5/c1-17-7-9-25(10-8-17)20(21)22-15-18-3-5-19(6-4-18)16-24-13-11-23(2)12-14-24/h3-6,17H,7-16H2,1-2H3,(H2,21,22)
InChIKeyPJJZNUDBDWUACG-UHFFFAOYSA-N
MW343.52 g/mol
LogP1.98
Rot. Bonds4

About 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide

4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 110919839) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
PubChem CID110919839
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccc(CN3CCN(C)CC3)cc2)CC1
InChIInChI=1S/C20H33N5/c1-17-7-9-25(10-8-17)20(21)22-15-18-3-5-19(6-4-18)16-24-13-11-23(2)12-14-24/h3-6,17H,7-16H2,1-2H3,(H2,21,22)
InChIKeyPJJZNUDBDWUACG-UHFFFAOYSA-N
XLogP1.98
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]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'-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047033
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
1-cyclopropyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 110915054
4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 110920726
4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110927363
N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
CID 110919465
N'-[(3-bromo-5-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110920809
ethyl 4-[[N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111047265
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
CID 119146676
N'-[[4-(dimethylamino)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920413
N'-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide (CID 110919839) is 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccc(CN3CCN(C)CC3)cc2)CC1.
What is the InChIKey of 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is PJJZNUDBDWUACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-17-7-9-25(10-8-17)20(21)22-15-18-3-5-19(6-4-18)16-24-13-11-23(2)12-14-24/h3-6,17H,7-16H2,1-2H3,(H2,21,22).
What are the key properties of 4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide?
4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 343.52 g/mol, XLogP of 1.98, 4 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-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110919839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).