3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide

C16H31N3O2 — CID 111818472

IUPAC3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCOCC2CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-14-4-2-8-19(12-14)16(17)18-7-3-9-21-13-15-5-10-20-11-6-15/h14-15H,2-13H2,1H3,(H2,17,18)
InChIKeySZYJXEYTLFWMBJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.87
Rot. Bonds6

About 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide

3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide (PubChem CID 111818472) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide
PubChem CID111818472
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CCCOCC2CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-14-4-2-8-19(12-14)16(17)18-7-3-9-21-13-15-5-10-20-11-6-15/h14-15H,2-13H2,1H3,(H2,17,18)
InChIKeySZYJXEYTLFWMBJ-UHFFFAOYSA-N
XLogP1.87
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.87
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-[[(3S)-oxolan-3-yl]methoxy]propyl]azepane-1-carboximidamide
CID 99849009
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[4-(2-methoxyethoxy)butyl]-3-methylpiperidine-1-carboximidamide
CID 111095284
tert-butyl 4-[N'-[3-(oxan-4-ylmethoxy)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111818504
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
1-ethyl-3-[4-(3-methylpiperidin-1-yl)butyl]-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111643949
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
N'-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-4-carboximidamide
CID 111056830

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide (CID 111818472) is 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CCCOCC2CCOCC2)C1.
What is the InChIKey of 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is SZYJXEYTLFWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14-4-2-8-19(12-14)16(17)18-7-3-9-21-13-15-5-10-20-11-6-15/h14-15H,2-13H2,1H3,(H2,17,18).
What are the key properties of 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide?
3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 297.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[3-(oxan-4-ylmethoxy)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111818472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).