3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide

C16H32N4 — CID 111034873

IUPAC3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
SMILESCC1CCN(CCC/N=C(\N)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H32N4/c1-14-6-11-19(12-7-14)9-4-8-18-16(17)20-10-3-5-15(2)13-20/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyMJIRZEYFFHDLRA-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.15
Rot. Bonds4

About 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide

3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111034873) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
PubChem CID111034873
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
SMILESCC1CCN(CCC/N=C(\N)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H32N4/c1-14-6-11-19(12-7-14)9-4-8-18-16(17)20-10-3-5-15(2)13-20/h14-15H,3-13H2,1-2H3,(H2,17,18)
InChIKeyMJIRZEYFFHDLRA-UHFFFAOYSA-N
XLogP2.15
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
N'-[3-(4-methylpiperidin-1-yl)propyl]thiomorpholine-4-carboximidamide
CID 111034887
tert-butyl 4-[3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]piperazine-1-carboxylate
CID 111070898
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005
2-methyl-N'-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661211
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide (CID 111034873) is 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide is CC1CCN(CCC/N=C(\N)N2CCCC(C)C2)CC1.
What is the InChIKey of 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is MJIRZEYFFHDLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-14-6-11-19(12-7-14)9-4-8-18-16(17)20-10-3-5-15(2)13-20/h14-15H,3-13H2,1-2H3,(H2,17,18).
What are the key properties of 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide?
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 280.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111034873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).