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

C15H30N4 — CID 110920148

IUPAC4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN2CCCCC2C)CC1
InChIInChI=1S/C15H30N4/c1-13-6-10-19(11-7-13)15(16)17-8-12-18-9-4-3-5-14(18)2/h13-14H,3-12H2,1-2H3,(H2,16,17)
InChIKeyKMSLQSOMUCMUIB-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.91
Rot. Bonds3

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

4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 110920148) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
PubChem CID110920148
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CCN2CCCCC2C)CC1
InChIInChI=1S/C15H30N4/c1-13-6-10-19(11-7-13)15(16)17-8-12-18-9-4-3-5-14(18)2/h13-14H,3-12H2,1-2H3,(H2,16,17)
InChIKeyKMSLQSOMUCMUIB-UHFFFAOYSA-N
XLogP1.91
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.91
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'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111060130
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
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',4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211464
1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056754
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
ethyl 4-[[N'-[2-(2-methylpiperidin-1-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111056779
N-[3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752258
2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056738

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide (CID 110920148) is 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide is CC1CCN(/C(N)=N/CCN2CCCCC2C)CC1.
What is the InChIKey of 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is KMSLQSOMUCMUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-13-6-10-19(11-7-13)15(16)17-8-12-18-9-4-3-5-14(18)2/h13-14H,3-12H2,1-2H3,(H2,16,17).
What are the key properties of 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 266.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 110920148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).