N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide

C14H29N3O2 — CID 111095284

IUPACN'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
SMILESCOCCOCCCC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C14H29N3O2/c1-13-6-5-8-17(12-13)14(15)16-7-3-4-9-19-11-10-18-2/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyTYBCOQFPPKMGNS-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.48
Rot. Bonds8

About N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide

N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 111095284) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
PubChem CID111095284
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
SMILESCOCCOCCCC/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C14H29N3O2/c1-13-6-5-8-17(12-13)14(15)16-7-3-4-9-19-11-10-18-2/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyTYBCOQFPPKMGNS-UHFFFAOYSA-N
XLogP1.48
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide
CID 111818472
N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
tert-butyl N-[4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butyl]carbamate
CID 110026921
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145255

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide (CID 111095284) is N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide is COCCOCCCC/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is TYBCOQFPPKMGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-13-6-5-8-17(12-13)14(15)16-7-3-4-9-19-11-10-18-2/h13H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide?
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 271.40 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111095284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).