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

C17H34N4 — CID 111060279

IUPAC3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCC1CCCN(CCCC/N=C(\N)N2CCCC(C)C2)C1
InChIInChI=1S/C17H34N4/c1-15-7-5-11-20(13-15)10-4-3-9-19-17(18)21-12-6-8-16(2)14-21/h15-16H,3-14H2,1-2H3,(H2,18,19)
InChIKeyRARNLMZIWWQURN-UHFFFAOYSA-N
MW294.49 g/mol
LogP2.55
Rot. Bonds5

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

3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide (PubChem CID 111060279) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
PubChem CID111060279
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
SMILESCC1CCCN(CCCC/N=C(\N)N2CCCC(C)C2)C1
InChIInChI=1S/C17H34N4/c1-15-7-5-11-20(13-15)10-4-3-9-19-17(18)21-12-6-8-16(2)14-21/h15-16H,3-14H2,1-2H3,(H2,18,19)
InChIKeyRARNLMZIWWQURN-UHFFFAOYSA-N
XLogP2.55
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 52.55
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'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
CID 111056830
N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005
tert-butyl 4-[3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]propyl]piperazine-1-carboxylate
CID 111070898
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
1-butyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine
CID 111060231
N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955493
4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 111056970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide (CID 111060279) is 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide is CC1CCCN(CCCC/N=C(\N)N2CCCC(C)C2)C1.
What is the InChIKey of 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
The InChIKey is RARNLMZIWWQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-15-7-5-11-20(13-15)10-4-3-9-19-17(18)21-12-6-8-16(2)14-21/h15-16H,3-14H2,1-2H3,(H2,18,19).
What are the key properties of 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide?
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide has a molecular weight of 294.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111060279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).