4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide

C12H22IN5 — CID 110920838

IUPAC4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCn2cccn2)CC1.I
InChIInChI=1S/C12H21N5.HI/c1-11-3-8-16(9-4-11)12(13)14-6-10-17-7-2-5-15-17;/h2,5,7,11H,3-4,6,8-10H2,1H3,(H2,13,14);1H
InChIKeyOXCRFNDLZCGRBH-UHFFFAOYSA-N
MW363.25 g/mol
LogP1.55
Rot. Bonds3

About 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 110920838) has the molecular formula C12H22IN5 and a molecular weight of 363.25 g/mol. Its IUPAC name is 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID110920838
Molecular FormulaC12H22IN5
Molecular Weight363.25 g/mol
Exact Mass363.09
IUPAC Name4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC1CCN(/C(N)=N/CCn2cccn2)CC1.I
InChIInChI=1S/C12H21N5.HI/c1-11-3-8-16(9-4-11)12(13)14-6-10-17-7-2-5-15-17;/h2,5,7,11H,3-4,6,8-10H2,1H3,(H2,13,14);1H
InChIKeyOXCRFNDLZCGRBH-UHFFFAOYSA-N
XLogP1.55
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 51.55
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

3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919171
4-methyl-N'-[4-(pyridin-2-ylamino)butyl]piperidine-1-carboximidamide;hydroiodide
CID 110928110
1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 110030426
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
1-cyclopropyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 62361824
4-methyl-N'-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110919438
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920148

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide (CID 110920838) is 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide is CC1CCN(/C(N)=N/CCn2cccn2)CC1.I.
What is the InChIKey of 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is OXCRFNDLZCGRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5.HI/c1-11-3-8-16(9-4-11)12(13)14-6-10-17-7-2-5-15-17;/h2,5,7,11H,3-4,6,8-10H2,1H3,(H2,13,14);1H.
What are the key properties of 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 363.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110920838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).