N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

C20H34IN5 — CID 110919171

IUPACN'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCN2CCN(Cc3ccccc3)CC2)CC1.I
InChIInChI=1S/C20H33N5.HI/c1-18-7-10-25(11-8-18)20(21)22-9-12-23-13-15-24(16-14-23)17-19-5-3-2-4-6-19;/h2-6,18H,7-17H2,1H3,(H2,21,22);1H
InChIKeyFSPSVZZPQCOAGF-UHFFFAOYSA-N
MW471.43 g/mol
LogP2.47
Rot. Bonds5

About N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 110919171) has the molecular formula C20H34IN5 and a molecular weight of 471.43 g/mol. Its IUPAC name is N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID110919171
Molecular FormulaC20H34IN5
Molecular Weight471.43 g/mol
Exact Mass471.19
IUPAC NameN'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCN2CCN(Cc3ccccc3)CC2)CC1.I
InChIInChI=1S/C20H33N5.HI/c1-18-7-10-25(11-8-18)20(21)22-9-12-23-13-15-24(16-14-23)17-19-5-3-2-4-6-19;/h2-6,18H,7-17H2,1H3,(H2,21,22);1H
InChIKeyFSPSVZZPQCOAGF-UHFFFAOYSA-N
XLogP2.47
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 52.47
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110919839
4-methyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 110921127
N'-(2-benzylsulfinylethyl)-4-methylpiperidine-1-carboximidamide
CID 111424439
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide;hydroiodide
CID 110920491
4-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 110919520
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110920838
N'-[2-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935123
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-benzylpropanamide
CID 110920492

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide (CID 110919171) is N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCN2CCN(Cc3ccccc3)CC2)CC1.I.
What is the InChIKey of N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is FSPSVZZPQCOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5.HI/c1-18-7-10-25(11-8-18)20(21)22-9-12-23-13-15-24(16-14-23)17-19-5-3-2-4-6-19;/h2-6,18H,7-17H2,1H3,(H2,21,22);1H.
What are the key properties of N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 471.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110919171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).