4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide

C13H22N4 — CID 119146676

IUPAC4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2cccn2C)CC1
InChIInChI=1S/C13H22N4/c1-11-5-8-17(9-6-11)13(14)15-10-12-4-3-7-16(12)2/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15)
InChIKeyZMFCPINGVYAWIV-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide

4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 119146676) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID119146676
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2cccn2C)CC1
InChIInChI=1S/C13H22N4/c1-11-5-8-17(9-6-11)13(14)15-10-12-4-3-7-16(12)2/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15)
InChIKeyZMFCPINGVYAWIV-UHFFFAOYSA-N
XLogP1.57
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119146669
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide
CID 111601356
4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110919839
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
N'-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920083
N'-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111466070
4-methyl-N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 110919533
N'-[(2-hydroxy-3-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935470
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide (CID 119146676) is 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2cccn2C)CC1.
What is the InChIKey of 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is ZMFCPINGVYAWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-5-8-17(9-6-11)13(14)15-10-12-4-3-7-16(12)2/h3-4,7,11H,5-6,8-10H2,1-2H3,(H2,14,15).
What are the key properties of 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide?
4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 234.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 119146676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).